import java.lang.reflect.InvocationTargetException;
import java.net.*;
import java.util.*;
+import java.util.Map.Entry;
import java.util.jar.*;
import javax.swing.*;
JarOutputStream jout)
{
initSeqRefs();
-
+ Vector jmolViewIds = new Vector(); //
Vector userColours = new Vector();
AlignViewport av = ap.av;
{
// TODO: revise schema to allow many:one PDB id binding to viewer
jmol = (AppJmol) frames[f];
- if (!jmol.jmb.pdbentry[0].getId().equals(entry.getId())
- && !(entry.getId().length() > 4 && entry.getId()
- .toLowerCase().startsWith(
- jmol.jmb.pdbentry[0].getId().toLowerCase())))
- continue;
- matchedFile = jmol.jmb.pdbentry[0].getFile(); // record the file so we
- // can get at it if the ID
- // match is ambiguous (e.g.
- // 1QIP==1qipA)
- StructureState state = new StructureState();
- state.setVisible(true);
- state.setXpos(jmol.getX());
- state.setYpos(jmol.getY());
- state.setWidth(jmol.getWidth());
- state.setHeight(jmol.getHeight());
- state.setViewId(jmol.getViewId());
- String statestring = jmol.jmb.viewer.getStateInfo();
- if (state != null)
- {
- state.setContent(statestring.replaceAll("\n", ""));
- }
- for (int s = 0; s < jmol.jmb.sequence.length; s++)
+ for (int peid = 0; peid < jmol.jmb.pdbentry.length; peid++)
{
- for (int smap=0;smap<jmol.jmb.sequence[s].length; smap++)
- if (jal.findIndex(jmol.jmb.sequence[s][smap]) > -1)
+ if (!jmol.jmb.pdbentry[peid].getId().equals(entry.getId())
+ && !(entry.getId().length() > 4 && entry
+ .getId()
+ .toLowerCase()
+ .startsWith(
+ jmol.jmb.pdbentry[peid].getId()
+ .toLowerCase())))
+ continue;
+ if (matchedFile == null)
+ {
+ matchedFile = jmol.jmb.pdbentry[peid].getFile();
+ }
+ else if (!matchedFile.equals(jmol.jmb.pdbentry[peid]
+ .getFile()))
+ {
+ Cache.log
+ .warn("Probably lost some PDB-Sequence mappings for this structure file (which apparently has same PDB Entry code): "
+ + jmol.jmb.pdbentry[peid].getFile());
+ ; // record the
+ }
+ // file so we
+ // can get at it if the ID
+ // match is ambiguous (e.g.
+ // 1QIP==1qipA)
+ String statestring = jmol.jmb.viewer.getStateInfo();
+
+ for (int smap = 0; smap < jmol.jmb.sequence[peid].length; smap++)
{
- pdb.addStructureState(state);
+ if (jal.findIndex(jmol.jmb.sequence[peid][smap]) > -1)
+ {
+ StructureState state = new StructureState();
+ state.setVisible(true);
+ state.setXpos(jmol.getX());
+ state.setYpos(jmol.getY());
+ state.setWidth(jmol.getWidth());
+ state.setHeight(jmol.getHeight());
+ state.setViewId(jmol.getViewId());
+ if (!jmolViewIds.contains(state.getViewId()))
+ {
+ // Make sure we only store a Jmol state once in each XML
+ // document.
+ jmolViewIds.addElement(state.getViewId());
+ state.setContent(statestring.replaceAll("\n", ""));
+ }
+ else
+ {
+ state.setContent("# duplicate state");
+ }
+ pdb.addStructureState(state);
+ }
}
}
}
ae.setPosition(a);
if (aa[i].annotations[a].secondaryStructure != ' '
&& aa[i].annotations[a].secondaryStructure != '\0')
- ae
- .setSecondaryStructure(aa[i].annotations[a].secondaryStructure
- + "");
+ ae.setSecondaryStructure(aa[i].annotations[a].secondaryStructure
+ + "");
if (aa[i].annotations[a].colour != null
&& aa[i].annotations[a].colour != java.awt.Color.black)
// /////////SAVE VIEWPORT
Viewport view = new Viewport();
view.setTitle(ap.alignFrame.getTitle());
- view.setSequenceSetId(makeHashCode(av.getSequenceSetId(), av
- .getSequenceSetId()));
+ view.setSequenceSetId(makeHashCode(av.getSequenceSetId(),
+ av.getSequenceSetId()));
view.setId(av.getViewId());
view.setViewName(av.viewName);
view.setGatheredViews(av.gatherViewsHere);
}
Group g = new Group();
g.setName(grp);
- g
- .setDisplay(((Boolean) ap.seqPanel.seqCanvas
- .getFeatureRenderer().featureGroups.get(grp))
- .booleanValue());
+ g.setDisplay(((Boolean) ap.seqPanel.seqCanvas.getFeatureRenderer().featureGroups
+ .get(grp)).booleanValue());
fs.addGroup(g);
groupsAdded.addElement(grp);
}
anot[ae[aa].getPosition()] = new jalview.datamodel.Annotation(
- ae[aa].getDisplayCharacter(), ae[aa].getDescription(), (ae[aa]
- .getSecondaryStructure() == null || ae[aa]
- .getSecondaryStructure().length() == 0) ? ' ' : ae[aa]
- .getSecondaryStructure().charAt(0), ae[aa].getValue()
+ ae[aa].getDisplayCharacter(), ae[aa].getDescription(),
+ (ae[aa].getSecondaryStructure() == null || ae[aa]
+ .getSecondaryStructure().length() == 0) ? ' '
+ : ae[aa].getSecondaryStructure().charAt(0),
+ ae[aa].getValue()
);
// JBPNote: Consider verifying dataflow for IO of secondary
// {
// anot[ae[aa].getPosition()].displayCharacter = "";
// }
- anot[ae[aa].getPosition()].colour = new java.awt.Color(ae[aa]
- .getColour());
+ anot[ae[aa].getPosition()].colour = new java.awt.Color(
+ ae[aa].getColour());
}
}
jalview.datamodel.AlignmentAnnotation jaa = null;
groups[i].getDisplayText(), groups[i].getColourText(),
groups[i].getStart(), groups[i].getEnd());
- sg
- .setOutlineColour(new java.awt.Color(groups[i]
- .getOutlineColour()));
+ sg.setOutlineColour(new java.awt.Color(groups[i].getOutlineColour()));
sg.textColour = new java.awt.Color(groups[i].getTextCol1());
sg.textColour2 = new java.awt.Color(groups[i].getTextCol2());
sg.thresholdTextColour = groups[i].getTextColThreshold();
if (groups[i].hasShowConsensusHistogram())
{
- sg
- .setShowConsensusHistogram(groups[i]
- .isShowConsensusHistogram());
+ sg.setShowConsensusHistogram(groups[i].isShowConsensusHistogram());
}
;
if (groups[i].hasShowSequenceLogo())
if (groups[i].getConsThreshold() != 0)
{
jalview.analysis.Conservation c = new jalview.analysis.Conservation(
- "All", ResidueProperties.propHash, 3, sg
- .getSequences(null), 0, sg.getWidth() - 1);
+ "All", ResidueProperties.propHash, 3,
+ sg.getSequences(null), 0, sg.getWidth() - 1);
c.calculate();
c.verdict(false, 25);
sg.cs.setConservation(c);
TreePanel tp = (TreePanel) retrieveExistingObj(tree.getId());
if (tp == null)
{
- tp = af.ShowNewickTree(new jalview.io.NewickFile(tree
- .getNewick()), tree.getTitle(), tree.getWidth(), tree
- .getHeight(), tree.getXpos(), tree.getYpos());
+ tp = af.ShowNewickTree(
+ new jalview.io.NewickFile(tree.getNewick()),
+ tree.getTitle(), tree.getWidth(), tree.getHeight(),
+ tree.getXpos(), tree.getYpos());
if (tree.getId() != null)
{
// perhaps bind the tree id to something ?
// //LOAD STRUCTURES
if (loadTreesAndStructures)
{
+ // run through all PDB ids on the alignment, and collect mappings between
+ // jmol view ids and all sequences referring to it
+ Hashtable<String, Object[]> jmolViewIds = new Hashtable();
+
for (int i = 0; i < JSEQ.length; i++)
{
if (JSEQ[i].getPdbidsCount() > 0)
int y = ids[p].getStructureState(s).getYpos();
int width = ids[p].getStructureState(s).getWidth();
int height = ids[p].getStructureState(s).getHeight();
- AppJmol comp = null;
- JInternalFrame[] frames = null;
- do
+
+ // Probably don't need to do this anymore...
+ // Desktop.desktop.getComponentAt(x, y);
+ // TODO: NOW: check that this recovers the PDB file correctly.
+ String pdbFile = loadPDBFile(jprovider, ids[p].getId());
+ jalview.datamodel.SequenceI seq = (jalview.datamodel.SequenceI) seqRefIds
+ .get(JSEQ[i].getId() + "");
+ if (sviewid == null)
{
- try
- {
- frames = Desktop.desktop.getAllFrames();
- } catch (ArrayIndexOutOfBoundsException e)
- {
- // occasional No such child exceptions are thrown here...
- frames = null;
- try
- {
- Thread.sleep(10);
- } catch (Exception f)
- {
- }
- ;
- }
- } while (frames == null);
- // search for any Jmol windows already open from other
- // alignment views that exactly match the stored structure state
- for (int f = 0; comp == null && f < frames.length; f++)
+ sviewid = "_jalview_pre2_4_" + x + "," + y + "," + width
+ + "," + height;
+ }
+ if (!jmolViewIds.containsKey(sviewid))
+ {
+ jmolViewIds.put(sviewid, new Object[]
+ { new int[]
+ { x, y, width, height }, "",
+ new Hashtable<String, Object[]>() });
+ }
+ // TODO: assemble String[] { pdb files }, String[] { id for each
+ // file }, orig_fileloc, SequenceI[][] {{ seqs_file 1 }, {
+ // seqs_file 2}} from hash
+ Object[] jmoldat = (Object[]) jmolViewIds.get(sviewid);
+ if (((String) jmoldat[1]).length() < ids[p]
+ .getStructureState(s).getContent().length())
{
- if (frames[f] instanceof AppJmol)
{
- if (sviewid != null
- && ((AppJmol) frames[f]).getViewId().equals(
- sviewid))
- {
- // post jalview 2.4 schema includes structure view id
- comp = (AppJmol) frames[f];
- }
- else if (frames[f].getX() == x && frames[f].getY() == y
- && frames[f].getHeight() == height
- && frames[f].getWidth() == width)
- {
- comp = (AppJmol) frames[f];
- }
+ jmoldat[1] = ids[p].getStructureState(s).getContent();
}
}
- // Probably don't need to do this anymore...
- // Desktop.desktop.getComponentAt(x, y);
- // TODO: NOW: check that this recovers the PDB file correctly.
- String pdbFile = loadPDBFile(jprovider, ids[p].getId());
+ Object[] seqstrmaps = (Object[]) ((Hashtable) jmoldat[2])
+ .get(ids[p].getFile());
+ if (seqstrmaps == null)
+ {
+ ((Hashtable) jmoldat[2]).put(
+ new File(ids[p].getFile()).toString(),
+ seqstrmaps = new Object[]
+ { pdbFile, ids[p].getId(), new Vector(),
+ new Vector() });
+ }
+ if (!((Vector) seqstrmaps[2]).contains(seq))
+ {
+ ((Vector) seqstrmaps[2]).addElement(seq);
+ // ((Vector)seqstrmaps[3]).addElement(n) : in principle, chains
+ // should be stored here : do we need to
+ // TODO: store and recover seq/pdb_id : chain mappings
+ }
+ }
+ }
+ }
+ }
+ {
- jalview.datamodel.SequenceI[] seq = new jalview.datamodel.SequenceI[]
- { (jalview.datamodel.SequenceI) seqRefIds.get(JSEQ[i].getId()
- + "") };
+ // Instantiate the associated Jmol views
+ for (Entry<String, Object[]> entry : jmolViewIds.entrySet())
+ {
+ String sviewid = entry.getKey();
+ Object[] svattrib = entry.getValue();
+ int[] geom = (int[]) svattrib[0];
+ String state = (String) svattrib[1];
+ Hashtable<String, Object[]> oldFiles = (Hashtable<String, Object[]>) svattrib[2];
- if (comp == null)
+ int x = geom[0], y = geom[1], width = geom[2], height = geom[3];
+ // collate the pdbfile -> sequence mappings from this view
+ Vector<String> pdbfilenames = new Vector<String>();
+ Vector<SequenceI[]> seqmaps = new Vector<SequenceI[]>();
+ Vector<String> pdbids = new Vector<String>();
+
+ // Search to see if we've already created this Jmol view
+ AppJmol comp = null;
+ JInternalFrame[] frames = null;
+ do
+ {
+ try
+ {
+ frames = Desktop.desktop.getAllFrames();
+ } catch (ArrayIndexOutOfBoundsException e)
+ {
+ // occasional No such child exceptions are thrown here...
+ frames = null;
+ try
{
- // create a new Jmol window
- String state = ids[p].getStructureState(s).getContent();
- StringBuffer newFileLoc = null;
- int cp=0;
- if ((cp=state.indexOf("load ")) > -1)
- {
- newFileLoc = new StringBuffer(state.substring(0, (cp=state
- .indexOf("\"", cp+1)+1)));
+ Thread.sleep(10);
+ } catch (Exception f)
+ {
+ }
+ ;
+ }
+ } while (frames == null);
+ // search for any Jmol windows already open from other
+ // alignment views that exactly match the stored structure state
+ for (int f = 0; comp == null && f < frames.length; f++)
+ {
+ if (frames[f] instanceof AppJmol)
+ {
+ if (sviewid != null
+ && ((AppJmol) frames[f]).getViewId().equals(sviewid))
+ {
+ // post jalview 2.4 schema includes structure view id
+ comp = (AppJmol) frames[f];
+ }
+ else if (frames[f].getX() == x && frames[f].getY() == y
+ && frames[f].getHeight() == height
+ && frames[f].getWidth() == width)
+ {
+ comp = (AppJmol) frames[f];
+ }
+ }
+ }
- newFileLoc.append(jpdb.getFile());
- newFileLoc.append(state.substring(state.indexOf("\"",
- cp+1)));
- }
- else
- {
- System.err
- .println("Ignoring incomplete Jmol state for PDB "
- + ids[p].getId());
+ if (comp == null)
+ {
+ // create a new Jmol window.
+ // First parse the Jmol state to translate filenames loaded into the
+ // view, and record the order in which files are shown in the Jmol
+ // view, so we can add the sequence mappings in same order.
+ StringBuffer newFileLoc = null;
+ int cp = 0, ncp, ecp;
+ while ((ncp = state.indexOf("load ", cp)) > -1)
+ {
+ if (newFileLoc == null)
+ {
+ newFileLoc = new StringBuffer();
+ }
+ newFileLoc.append(state.substring(cp,
+ ncp = (state.indexOf("\"", ncp + 1) + 1)));
+ String oldfilenam = state.substring(ncp,
+ ecp = state.indexOf("\"", ncp));
+ // recover the new mapping data for this old filename
+ // have to normalize filename - since Jmol and jalview do filename
+ // translation differently.
+ Object[] filedat = oldFiles.get(new File(oldfilenam)
+ .toString());
+ newFileLoc.append(((String) filedat[0]));
+ pdbfilenames.addElement((String) filedat[0]);
+ pdbids.addElement((String) filedat[1]);
+ seqmaps.addElement((SequenceI[]) ((Vector<SequenceI>) filedat[2])
+ .toArray(new SequenceI[0]));
+ newFileLoc.append("\"");
+ cp = ecp + 1; // advance beyond last \" and set cursor so we can
+ // look for next file statement.
+ }
+ if (cp > 0)
+ {
+ // just append rest of state
+ newFileLoc.append(state.substring(cp));
+ }
+ else
+ {
+ System.err
+ .print("Ignoring incomplete Jmol state for PDB ids: ");
+ newFileLoc = new StringBuffer(state);
+ newFileLoc.append("; load append ");
+ for (String id : oldFiles.keySet())
+ {
+ // add this and any other pdb files that should be present in
+ // the viewer
+ Object[] filedat = oldFiles.get(id);
+ String nfilename;
+ newFileLoc.append(((String) filedat[0]));
+ pdbfilenames.addElement((String) filedat[0]);
+ pdbids.addElement((String) filedat[1]);
+ seqmaps.addElement((SequenceI[]) ((Vector<SequenceI>) filedat[2])
+ .toArray(new SequenceI[0]));
+ newFileLoc.append(" \"");
+ newFileLoc.append((String) filedat[0]);
+ newFileLoc.append("\"");
- newFileLoc = new StringBuffer(state);
- newFileLoc.append("; load \"");
- newFileLoc.append(jpdb.getFile());
- newFileLoc.append("\";");
- }
+ }
+ newFileLoc.append(";");
+ }
- if (newFileLoc != null)
+ if (newFileLoc != null)
+ {
+ int histbug = newFileLoc.indexOf("history = ");
+ histbug += 10;
+ int diff = histbug == -1 ? -1 : newFileLoc.indexOf(";",
+ histbug);
+ String val = (diff == -1) ? null : newFileLoc.substring(
+ histbug, diff);
+ if (val != null && val.length() >= 4)
+ {
+ if (val.contains("e"))
{
- int histbug = newFileLoc.indexOf("history = ");
- histbug+=10;
- int diff = histbug==-1 ? -1 : newFileLoc.indexOf(";",histbug);
- String val = (diff==-1) ? null : newFileLoc.substring(histbug,diff);
- if (val!=null && val.length()>=4)
+ if (val.trim().equals("true"))
{
- if (val.contains("e")) {
- if (val.trim().equals("true")) {
- val = "1";
- } else {
- val = "0";
- }
- newFileLoc.replace(histbug, diff, val);
- }
- }
- final String pdbf=pdbFile, id=ids[p].getId(), fileloc=newFileLoc.toString(),vid=sviewid;
- final SequenceI[] sq=seq;
- final AlignFrame alf = af;
- final java.awt.Rectangle rect = new java.awt.Rectangle(x,
- y, width, height);
- try {
- javax.swing.SwingUtilities.invokeAndWait(new Runnable() {
- public void run() {
- new AppJmol(pdbf, id, sq, alf.alignPanel,
- fileloc, rect, vid);
- }
- });
+ val = "1";
}
- catch (InvocationTargetException ex)
+ else
{
- System.err.println("Unexpected error when opening Jmol view.");
- ex.printStackTrace();
- } catch (InterruptedException e)
- {
- // e.printStackTrace();
+ val = "0";
}
+ newFileLoc.replace(histbug, diff, val);
}
-
}
- else
- // if (comp != null)
+ // TODO: assemble String[] { pdb files }, String[] { id for each
+ // file }, orig_fileloc, SequenceI[][] {{ seqs_file 1 }, {
+ // seqs_file 2}} from hash
+ final String[] pdbf = (String[]) pdbfilenames
+ .toArray(new String[pdbfilenames.size()]), id = (String[]) pdbids
+ .toArray(new String[pdbids.size()]);
+ final SequenceI[][] sq = (SequenceI[][]) seqmaps
+ .toArray(new SequenceI[seqmaps.size()][]);
+ final String fileloc = newFileLoc.toString(), vid = sviewid;
+ final AlignFrame alf = af;
+ final java.awt.Rectangle rect = new java.awt.Rectangle(x, y,
+ width, height);
+ try
+ {
+ javax.swing.SwingUtilities.invokeAndWait(new Runnable()
+ {
+ public void run()
+ {
+ new AppJmol(pdbf, id, sq, alf.alignPanel, fileloc,
+ rect, vid);
+ }
+ });
+ } catch (InvocationTargetException ex)
+ {
+ System.err
+ .println("Unexpected error when opening Jmol view.");
+ ex.printStackTrace();
+ } catch (InterruptedException e)
{
- // NOTE: if the jalview project is part of a shared session then
- // view synchronization should/could be done here.
-
- // add mapping for this sequence to the already open Jmol
- // instance (if it doesn't already exist)
- // These
- StructureSelectionManager.getStructureSelectionManager()
- .setMapping(seq, null, pdbFile,
- jalview.io.AppletFormatAdapter.FILE);
-
- ((AppJmol) comp).jmb.addSequenceForStructFile(pdbFile, seq);
+ // e.printStackTrace();
}
}
+
+ }
+ else
+ // if (comp != null)
+ {
+ // NOTE: if the jalview project is part of a shared session then
+ // view synchronization should/could be done here.
+
+ // add mapping for sequences in this view to an already open Jmol
+ // instance
+ for (String id : oldFiles.keySet())
+ {
+ // add this and any other pdb files that should be present in the
+ // viewer
+ Object[] filedat = oldFiles.get(id);
+ String pdbFile = (String) filedat[0];
+ SequenceI[] seq = (SequenceI[]) ((Vector<SequenceI>) filedat[2])
+ .toArray(new SequenceI[0]);
+ StructureSelectionManager.getStructureSelectionManager()
+ .setMapping(seq, null, pdbFile,
+ jalview.io.AppletFormatAdapter.FILE);
+ ((AppJmol) comp).jmb.addSequenceForStructFile(pdbFile, seq);
+ }
}
}
}
}
-
+ // and finally return.
return af;
}
for (int r = 0; r < JSEQ[s].getHiddenSequencesCount(); r++)
{
- hidden.addSequence(al
- .getSequenceAt(JSEQ[s].getHiddenSequences(r)), false);
+ hidden.addSequence(
+ al.getSequenceAt(JSEQ[s].getHiddenSequences(r)), false);
}
af.viewport.hideRepSequences(al.getSequenceAt(s), hidden);
}
af.viewport.viewName = view.getViewName();
af.setInitialTabVisible();
}
- af.setBounds(view.getXpos(), view.getYpos(), view.getWidth(), view
- .getHeight());
+ af.setBounds(view.getXpos(), view.getYpos(), view.getWidth(),
+ view.getHeight());
af.viewport.setShowAnnotation(view.getShowAnnotation());
af.viewport.setAbovePIDThreshold(view.getPidSelected());
);
}
- if (view.getAnnotationColours().getColourScheme().equals(
- "None"))
+ if (view.getAnnotationColours().getColourScheme()
+ .equals("None"))
{
- cs = new AnnotationColourGradient(af.viewport.alignment
- .getAlignmentAnnotation()[i], new java.awt.Color(
- view.getAnnotationColours().getMinColour()),
+ cs = new AnnotationColourGradient(
+ af.viewport.alignment.getAlignmentAnnotation()[i],
new java.awt.Color(view.getAnnotationColours()
- .getMaxColour()), view
- .getAnnotationColours().getAboveThreshold());
+ .getMinColour()), new java.awt.Color(view
+ .getAnnotationColours().getMaxColour()),
+ view.getAnnotationColours().getAboveThreshold());
}
else if (view.getAnnotationColours().getColourScheme()
.startsWith("ucs"))
{
- cs = new AnnotationColourGradient(af.viewport.alignment
- .getAlignmentAnnotation()[i],
+ cs = new AnnotationColourGradient(
+ af.viewport.alignment.getAlignmentAnnotation()[i],
GetUserColourScheme(jms, view
.getAnnotationColours().getColourScheme()),
view.getAnnotationColours().getAboveThreshold());
}
else
{
- cs = new AnnotationColourGradient(af.viewport.alignment
- .getAlignmentAnnotation()[i], ColourSchemeProperty
- .getColour(al, view.getAnnotationColours()
- .getColourScheme()), view
- .getAnnotationColours().getAboveThreshold());
+ cs = new AnnotationColourGradient(
+ af.viewport.alignment.getAlignmentAnnotation()[i],
+ ColourSchemeProperty.getColour(al, view
+ .getAnnotationColours().getColourScheme()),
+ view.getAnnotationColours().getAboveThreshold());
}
// Also use these settings for all the groups
af.setMenusFromViewport(af.viewport);
// TODO: we don't need to do this if the viewport is aready visible.
- Desktop.addInternalFrame(af, view.getTitle(), view.getWidth(), view
- .getHeight());
+ Desktop.addInternalFrame(af, view.getTitle(), view.getWidth(),
+ view.getHeight());
af.alignPanel.updateAnnotation(false); // recompute any autoannotation
return af;
}
/**
* make a new dataset sequence and add it to refIds hash
*/
- djs = new jalview.datamodel.Sequence(ms.getName(), ms
- .getSequence());
+ djs = new jalview.datamodel.Sequence(ms.getName(),
+ ms.getSequence());
djs.setStart(jmap.getMap().getToLowest());
djs.setEnd(jmap.getMap().getToHighest());
djs.setVamsasId(uniqueSetSuffix + sqid);
git://source.jalview.org / jalview.git / commitdiff