X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fext%2Fjmol%2FJalviewJmolBinding.java;h=58325fdc7791302b2c3bdfc38db3b94aed86e0a7;hb=9ac8472a4a1db8f17916f15690483af3bf97c495;hp=ed0b9503e675c34ab3be117c1392c91385218238;hpb=c5a7bc3f03aef928f1b06e5e9ab53d06970aeb12;p=jalview.git diff --git a/src/jalview/ext/jmol/JalviewJmolBinding.java b/src/jalview/ext/jmol/JalviewJmolBinding.java index ed0b950..58325fd 100644 --- 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) + * Copyright (C) 2015 The Jalview Authors * * This file is part of Jalview. * @@ -63,11 +63,6 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel 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; /* @@ -236,10 +231,9 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel 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 }); } /** @@ -259,8 +253,17 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel public void superposeStructures(AlignmentI[] _alignment, int[] _refStructure, ColumnSelection[] _hiddenCols) { + while (viewer.isScriptExecuting()) + { + try + { + Thread.sleep(10); + } catch (InterruptedException i) + { + } + ; + } String[] files = getPdbFile(); - if (!waitForFileLoad(files)) { return; @@ -272,7 +275,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel String nSeconds = " "; if (files.length > 10) { - nSeconds = " 0.00001 "; + nSeconds = " 0.005 "; } else { @@ -281,7 +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. - nSeconds = " "; + // nSeconds = " "; // union of all aligned positions are collected together. for (int a = 0; a < _alignment.length; a++) { @@ -454,8 +457,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel + 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); } @@ -478,7 +480,6 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel jmolHistory(false); if (lastCommand == null || !lastCommand.equals(command)) { - System.out.println(command); viewer.evalStringQuiet(command + "\n"); } jmolHistory(true); @@ -513,7 +514,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel } 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) { @@ -533,10 +535,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel 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); } /** @@ -589,8 +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 - int colour = viewer.ms.at[atomIndex] - .atomPropertyInt(T.color); + int colour = viewer.ms.at[atomIndex].atomPropertyInt(T.color); return new Color(colour); } @@ -668,6 +667,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel // 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++) @@ -887,8 +887,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel pdbfilename = modelFileNames[_mp]; if (pdbfilename == null) { - pdbfilename = new File( - viewer.ms.getModelFileName(mnumber)) + pdbfilename = new File(viewer.ms.getModelFileName(mnumber)) .getAbsolutePath(); } @@ -943,7 +942,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel 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) @@ -1131,8 +1130,8 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel pdbfile = viewer.getData("" + (1 + _modelFileNameMap[modelnum]) + ".0", "PDB"); } - // 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; @@ -1217,7 +1216,7 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel // } 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. @@ -1402,16 +1401,6 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel return null; } - public boolean isFinishedInit() - { - return finishedInit; - } - - public void setFinishedInit(boolean finishedInit) - { - this.finishedInit = finishedInit; - } - /** * */ @@ -1466,4 +1455,3 @@ public abstract class JalviewJmolBinding extends AAStructureBindingModel showConsole(false); } } -