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JAL-1894 update year/version in copyright
[jalview.git]
/
src
/
jalview
/
ext
/
jmol
/
JalviewJmolBinding.java
diff --git
a/src/jalview/ext/jmol/JalviewJmolBinding.java
b/src/jalview/ext/jmol/JalviewJmolBinding.java
index
fc86e1c
..
d9b4d70
100644
(file)
--- a/
src/jalview/ext/jmol/JalviewJmolBinding.java
+++ b/
src/jalview/ext/jmol/JalviewJmolBinding.java
@@
-1,6
+1,6
@@
/*
/*
- * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
- * Copyright (C) $$Year-Rel$$ The Jalview Authors
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.9.0b1)
+ * Copyright (C) 2015 The Jalview Authors
*
* This file is part of Jalview.
*
*
* This file is part of Jalview.
*
@@
-55,7
+55,6
@@
import org.jmol.api.JmolSelectionListener;
import org.jmol.api.JmolStatusListener;
import org.jmol.api.JmolViewer;
import org.jmol.c.CBK;
import org.jmol.api.JmolStatusListener;
import org.jmol.api.JmolViewer;
import org.jmol.c.CBK;
-import org.jmol.popup.JmolGenericPopup;
import org.jmol.script.T;
import org.jmol.viewer.JC;
import org.jmol.viewer.Viewer;
import org.jmol.script.T;
import org.jmol.viewer.JC;
import org.jmol.viewer.Viewer;
@@
-64,11
+63,6
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
implements JmolStatusListener, JmolSelectionListener,
ComponentListener
{
implements JmolStatusListener, JmolSelectionListener,
ComponentListener
{
- /*
- * state flag used to check if the Jmol viewer's paint method can be called
- */
- private boolean finishedInit = false;
-
boolean allChainsSelected = false;
/*
boolean allChainsSelected = false;
/*
@@
-77,13
+71,11
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
*/
private boolean associateNewStructs = false;
*/
private boolean associateNewStructs = false;
- Vector atomsPicked = new Vector();
+ Vector<String> atomsPicked = new Vector<String>();
- public Vector chainNames;
+ public Vector<String> chainNames;
- Hashtable chainFile;
-
- StringBuffer eval = new StringBuffer();
+ Hashtable<String, String> chainFile;
public String fileLoadingError;
public String fileLoadingError;
@@
-93,7
+85,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
*/
int frameNo = 0;
*/
int frameNo = 0;
- protected JmolGenericPopup jmolpopup;
+ // protected JmolGenericPopup jmolpopup; // not used - remove?
String lastCommand;
String lastCommand;
@@
-152,15
+144,13
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
* @param chainList
* list of chains to make visible
*/
* @param chainList
* list of chains to make visible
*/
- public void centerViewer(Vector chainList)
+ public void centerViewer(Vector<String> chainList)
{
{
- StringBuffer cmd = new StringBuffer();
- String lbl;
+ StringBuilder cmd = new StringBuilder(128);
int mlength, p;
int mlength, p;
- for (int i = 0, iSize = chainList.size(); i < iSize; i++)
+ for (String lbl : chainList)
{
mlength = 0;
{
mlength = 0;
- lbl = (String) chainList.elementAt(i);
do
{
p = mlength;
do
{
p = mlength;
@@
-168,7
+158,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
} while (p < mlength && mlength < (lbl.length() - 2));
// TODO: lookup each pdb id and recover proper model number for it.
cmd.append(":" + lbl.substring(mlength + 1) + " /"
} while (p < mlength && mlength < (lbl.length() - 2));
// TODO: lookup each pdb id and recover proper model number for it.
cmd.append(":" + lbl.substring(mlength + 1) + " /"
- + (1 + getModelNum((String) chainFile.get(lbl))) + " or ");
+ + (1 + getModelNum(chainFile.get(lbl))) + " or ");
}
if (cmd.length() > 0)
{
}
if (cmd.length() > 0)
{
@@
-241,10
+231,9
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
public void superposeStructures(AlignmentI alignment, int refStructure,
ColumnSelection hiddenCols)
{
public void superposeStructures(AlignmentI alignment, int refStructure,
ColumnSelection hiddenCols)
{
- superposeStructures(new AlignmentI[]
- { alignment }, new int[]
- { refStructure }, new ColumnSelection[]
- { hiddenCols });
+ superposeStructures(new AlignmentI[] { alignment },
+ new int[] { refStructure },
+ new ColumnSelection[] { hiddenCols });
}
/**
}
/**
@@
-264,8
+253,17
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
public void superposeStructures(AlignmentI[] _alignment,
int[] _refStructure, ColumnSelection[] _hiddenCols)
{
public void superposeStructures(AlignmentI[] _alignment,
int[] _refStructure, ColumnSelection[] _hiddenCols)
{
+ while (viewer.isScriptExecuting())
+ {
+ try
+ {
+ Thread.sleep(10);
+ } catch (InterruptedException i)
+ {
+ }
+ ;
+ }
String[] files = getPdbFile();
String[] files = getPdbFile();
-
if (!waitForFileLoad(files))
{
return;
if (!waitForFileLoad(files))
{
return;
@@
-277,7
+275,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
String nSeconds = " ";
if (files.length > 10)
{
String nSeconds = " ";
if (files.length > 10)
{
- nSeconds = " 0.00001 ";
+ nSeconds = " 0.005 ";
}
else
{
}
else
{
@@
-286,7
+284,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
}
// see JAL-1345 - should really automatically turn off the animation for
// large numbers of structures, but Jmol doesn't seem to allow that.
}
// see JAL-1345 - should really automatically turn off the animation for
// large numbers of structures, but Jmol doesn't seem to allow that.
- nSeconds = " ";
+ // nSeconds = " ";
// union of all aligned positions are collected together.
for (int a = 0; a < _alignment.length; a++)
{
// union of all aligned positions are collected together.
for (int a = 0; a < _alignment.length; a++)
{
@@
-459,8
+457,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
+ selectioncom.toString() + "); cartoons; ");
// selcom.append("; ribbons; ");
String cmdString = command.toString();
+ selectioncom.toString() + "); cartoons; ");
// selcom.append("; ribbons; ");
String cmdString = command.toString();
- System.out
-.println("Superimpose command(s):\n" + cmdString);
+ System.out.println("Superimpose command(s):\n" + cmdString);
evalStateCommand(cmdString);
}
evalStateCommand(cmdString);
}
@@
-494,9
+491,10
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
* using the getFeatureRenderer() and getSequenceRenderer() renderers but only
* if colourBySequence is enabled.
*/
* using the getFeatureRenderer() and getSequenceRenderer() renderers but only
* if colourBySequence is enabled.
*/
- public void colourBySequence(boolean showFeatures,
- jalview.api.AlignmentViewPanel alignmentv)
+ public void colourBySequence(AlignmentViewPanel alignmentv)
{
{
+ boolean showFeatures = alignmentv.getAlignViewport()
+ .isShowSequenceFeatures();
if (!colourBySequence || !isLoadingFinished())
{
return;
if (!colourBySequence || !isLoadingFinished())
{
return;
@@
-516,7
+514,8
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
}
AlignmentI alignment = alignmentv.getAlignment();
}
AlignmentI alignment = alignmentv.getAlignment();
- for (jalview.structure.StructureMappingcommandSet cpdbbyseq : getColourBySequenceCommands(files, sr, fr, alignment))
+ for (jalview.structure.StructureMappingcommandSet cpdbbyseq : getColourBySequenceCommands(
+ files, sr, fr, alignment))
{
for (String cbyseq : cpdbbyseq.commands)
{
{
for (String cbyseq : cpdbbyseq.commands)
{
@@
-536,10
+535,8
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
String[] files, SequenceRenderer sr, FeatureRenderer fr,
AlignmentI alignment)
{
String[] files, SequenceRenderer sr, FeatureRenderer fr,
AlignmentI alignment)
{
- return JmolCommands
- .getColourBySequenceCommand(getSsm(), files, getSequence(), sr,
- fr,
- alignment);
+ return JmolCommands.getColourBySequenceCommand(getSsm(), files,
+ getSequence(), sr, fr, alignment);
}
/**
}
/**
@@
-592,8
+589,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
}
// TODO: verify atomIndex is selecting correct model.
// return new Color(viewer.getAtomArgb(atomIndex)); Jmol 12.2.4
}
// TODO: verify atomIndex is selecting correct model.
// return new Color(viewer.getAtomArgb(atomIndex)); Jmol 12.2.4
- int colour = viewer.ms.at[atomIndex]
- .atomPropertyInt(T.color);
+ int colour = viewer.ms.at[atomIndex].atomPropertyInt(T.color);
return new Color(colour);
}
return new Color(colour);
}
@@
-671,6
+667,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
// applet path with docroot - discard as format won't match pdbfile
mset[0] = m;
}
// applet path with docroot - discard as format won't match pdbfile
mset[0] = m;
}
+ _modelFileNameMap[0] = 0; // filename index for first model is always 0.
}
int j = 1;
for (int i = 1; i < mset.length; i++)
}
int j = 1;
for (int i = 1; i < mset.length; i++)
@@
-729,7
+726,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
public void handlePopupMenu(int x, int y)
{
// jmolpopup.show(x, y);
public void handlePopupMenu(int x, int y)
{
// jmolpopup.show(x, y);
- jmolpopup.jpiShow(x, y);
+ // jmolpopup.jpiShow(x, y);
}
/**
}
/**
@@
-759,12
+756,10
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
// look up file model number for this pdbfile
int mdlNum = 0;
// look up file model number for this pdbfile
int mdlNum = 0;
- String fn;
// may need to adjust for URLencoding here - we don't worry about that yet.
while (mdlNum < modelFileNames.length
&& !pdbfile.equals(modelFileNames[mdlNum]))
{
// may need to adjust for URLencoding here - we don't worry about that yet.
while (mdlNum < modelFileNames.length
&& !pdbfile.equals(modelFileNames[mdlNum]))
{
- // System.out.println("nomatch:"+pdbfile+"\nmodelfn:"+fn);
mdlNum++;
}
if (mdlNum == modelFileNames.length)
mdlNum++;
}
if (mdlNum == modelFileNames.length)
@@
-780,31
+775,31
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
viewer.evalStringQuiet(resetLastRes.toString());
}
viewer.evalStringQuiet(resetLastRes.toString());
}
- eval.setLength(0);
- eval.append("select " + pdbResNum); // +modelNum
+ StringBuilder cmd = new StringBuilder(64);
+ cmd.append("select " + pdbResNum); // +modelNum
resetLastRes.setLength(0);
resetLastRes.append("select " + pdbResNum); // +modelNum
resetLastRes.setLength(0);
resetLastRes.append("select " + pdbResNum); // +modelNum
- eval.append(":");
+ cmd.append(":");
resetLastRes.append(":");
if (!chain.equals(" "))
{
resetLastRes.append(":");
if (!chain.equals(" "))
{
- eval.append(chain);
+ cmd.append(chain);
resetLastRes.append(chain);
}
{
resetLastRes.append(chain);
}
{
- eval.append(" /" + (mdlNum + 1));
+ cmd.append(" /" + (mdlNum + 1));
resetLastRes.append("/" + (mdlNum + 1));
}
resetLastRes.append("/" + (mdlNum + 1));
}
- eval.append(";wireframe 100;" + eval.toString() + " and not hetero;");
+ cmd.append(";wireframe 100;" + cmd.toString() + " and not hetero;");
resetLastRes.append(";wireframe 0;" + resetLastRes.toString()
+ " and not hetero; spacefill 0;");
resetLastRes.append(";wireframe 0;" + resetLastRes.toString()
+ " and not hetero; spacefill 0;");
- eval.append("spacefill 200;select none");
+ cmd.append("spacefill 200;select none");
- viewer.evalStringQuiet(eval.toString());
+ viewer.evalStringQuiet(cmd.toString());
jmolHistory(true);
}
jmolHistory(true);
}
@@
-892,8
+887,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
pdbfilename = modelFileNames[_mp];
if (pdbfilename == null)
{
pdbfilename = modelFileNames[_mp];
if (pdbfilename == null)
{
- pdbfilename = new File(
- viewer.ms.getModelFileName(mnumber))
+ pdbfilename = new File(viewer.ms.getModelFileName(mnumber))
.getAbsolutePath();
}
.getAbsolutePath();
}
@@
-948,7
+942,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
String mdlString = "";
if ((p = strInfo.indexOf(":")) > -1)
{
String mdlString = "";
if ((p = strInfo.indexOf(":")) > -1)
{
- picked += strInfo.substring(p + 1, strInfo.indexOf("."));
+ picked += strInfo.substring(p, strInfo.indexOf("."));
}
if ((p = strInfo.indexOf("/")) > -1)
}
if ((p = strInfo.indexOf("/")) > -1)
@@
-1081,8
+1075,8
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
fileLoadingError = null;
String[] oldmodels = modelFileNames;
modelFileNames = null;
fileLoadingError = null;
String[] oldmodels = modelFileNames;
modelFileNames = null;
- chainNames = new Vector();
- chainFile = new Hashtable();
+ chainNames = new Vector<String>();
+ chainFile = new Hashtable<String, String>();
boolean notifyLoaded = false;
String[] modelfilenames = getPdbFile();
// first check if we've lost any structures
boolean notifyLoaded = false;
String[] modelfilenames = getPdbFile();
// first check if we've lost any structures
@@
-1126,7
+1120,7
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
String fileName = modelfilenames[modelnum];
boolean foundEntry = false;
MCview.PDBfile pdb = null;
String fileName = modelfilenames[modelnum];
boolean foundEntry = false;
MCview.PDBfile pdb = null;
- String pdbfile = null, pdbfhash = null;
+ String pdbfile = null;
// model was probably loaded inline - so check the pdb file hashcode
if (loadedInline)
{
// model was probably loaded inline - so check the pdb file hashcode
if (loadedInline)
{
@@
-1135,10
+1129,9
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
// 'best guess'
pdbfile = viewer.getData("" + (1 + _modelFileNameMap[modelnum])
+ ".0", "PDB");
// 'best guess'
pdbfile = viewer.getData("" + (1 + _modelFileNameMap[modelnum])
+ ".0", "PDB");
- pdbfhash = "" + pdbfile.hashCode();
}
}
- // search pdbentries and sequences to find correct pdbentry for this
- // model
+ // search pdbentries and sequences to find correct pdbentry for this
+ // model
for (int pe = 0; pe < getPdbCount(); pe++)
{
boolean matches = false;
for (int pe = 0; pe < getPdbCount(); pe++)
{
boolean matches = false;
@@
-1216,14
+1209,14
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
}
// FILE LOADED OK
// so finally, update the jmol bits and pieces
}
// FILE LOADED OK
// so finally, update the jmol bits and pieces
- if (jmolpopup != null)
- {
- // potential for deadlock here:
- // jmolpopup.updateComputedMenus();
- }
+ // if (jmolpopup != null)
+ // {
+ // // potential for deadlock here:
+ // // jmolpopup.updateComputedMenus();
+ // }
if (!isLoadingFromArchive())
{
if (!isLoadingFromArchive())
{
- viewer.evalStringQuiet("model 0; select backbone;restrict;cartoon;wireframe off;spacefill off");
+ viewer.evalStringQuiet("model *; select backbone;restrict;cartoon;wireframe off;spacefill off");
}
// register ourselves as a listener and notify the gui that it needs to
// update itself.
}
// register ourselves as a listener and notify the gui that it needs to
// update itself.
@@
-1408,16
+1401,6
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
return null;
}
return null;
}
- public boolean isFinishedInit()
- {
- return finishedInit;
- }
-
- public void setFinishedInit(boolean finishedInit)
- {
- this.finishedInit = finishedInit;
- }
-
/**
*
*/
/**
*
*/
@@
-1472,4
+1455,3
@@
public abstract class JalviewJmolBinding extends AAStructureBindingModel
showConsole(false);
}
}
showConsole(false);
}
}
-