X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fgui%2FPymolViewer.java;h=52c253d34a8117b1950fe4260c2e8dcfd170e8e4;hb=efee78d45ceeb879d98fedd399a71d84a5ecd5f8;hp=3b6ea99087b972b43bffcb456c790b466299f26e;hpb=57fd11364c284318be3cae3ded0df30a36ee0d98;p=jalview.git diff --git a/src/jalview/gui/PymolViewer.java b/src/jalview/gui/PymolViewer.java index 3b6ea99..52c253d 100644 --- a/src/jalview/gui/PymolViewer.java +++ b/src/jalview/gui/PymolViewer.java @@ -1,3 +1,23 @@ +/* + * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) + * Copyright (C) $$Year-Rel$$ 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.gui; import java.awt.event.ActionEvent; @@ -50,9 +70,7 @@ public class PymolViewer extends StructureViewerBase AlignmentPanel ap) { this(); - openNewPymol(ap, new PDBEntry[] { pdb }, - new SequenceI[][] - { seqs }); + openNewPymol(ap, new PDBEntry[] { pdb }, new SequenceI[][] { seqs }); } public PymolViewer(PDBEntry[] pe, boolean alignAdded, SequenceI[][] seqs, @@ -161,11 +179,12 @@ public class PymolViewer extends StructureViewerBase public void run() { // todo pull up much of this - + StringBuilder errormsgs = new StringBuilder(128); List filePDB = new ArrayList<>(); List filePDBpos = new ArrayList<>(); - String[] curfiles = binding.getStructureFiles(); // files currently in viewer + String[] curfiles = binding.getStructureFiles(); // files currently in + // viewer for (int pi = 0; pi < binding.getPdbCount(); pi++) { String file = null; @@ -186,8 +205,7 @@ public class PymolViewer extends StructureViewerBase /* * got file already */ - file = new File(thePdbEntry.getFile()).getAbsoluteFile() - .getPath(); + file = new File(thePdbEntry.getFile()).getAbsoluteFile().getPath(); // todo - skip if already loaded in PyMOL } if (file != null) @@ -196,7 +214,7 @@ public class PymolViewer extends StructureViewerBase filePDBpos.add(Integer.valueOf(pi)); } } - + if (!filePDB.isEmpty()) { /* @@ -215,6 +233,14 @@ public class PymolViewer extends StructureViewerBase return; } } + if (!binding.isViewerRunning()) + { + // nothing to do + // TODO: ensure we tidy up JAL-3619 + + return; + } + int num = -1; for (PDBEntry pe : filePDB) { @@ -244,16 +270,23 @@ public class PymolViewer extends StructureViewerBase stopProgressBar("", startTime); } - StructureFile pdb = binding.getSsm().setMapping( - binding.getSequence()[pos], binding.getChains()[pos], - pe.getFile(), protocol, - getProgressIndicator()); + StructureFile pdb = null; + if (pe.hasStructureFile()) + { + pdb = pe.getStructureFile(); + Console.debug("(Re)Using StructureFile " + pdb.getId()); + } + else + { + pdb = binding.getSsm().setMapping(binding.getSequence()[pos], + binding.getChains()[pos], pe.getFile(), protocol, + getProgressIndicator()); + } binding.stashFoundChains(pdb, pe.getFile()); } catch (Exception ex) { - Console.error( - "Couldn't open " + pe.getFile() + " in Chimera viewer!", - ex); + Console.error("Couldn't open " + pe.getFile() + " in " + + getViewerName() + "!", ex); } finally { // Cache.debug("File locations are " + files); @@ -326,8 +359,7 @@ public class PymolViewer extends StructureViewerBase boolean opened = binding.openSession(pymolSessionFile); if (!opened) { - Console.error( - "An error occurred opening PyMOL session file " + Console.error("An error occurred opening PyMOL session file " + pymolSessionFile); } } @@ -351,7 +383,9 @@ public class PymolViewer extends StructureViewerBase { return "PyMOL"; } + JMenuItem writeFeatures = null; + @Override protected void initMenus() { @@ -362,8 +396,8 @@ public class PymolViewer extends StructureViewerBase writeFeatures = new JMenuItem( MessageManager.getString("label.create_viewer_attributes")); - writeFeatures.setToolTipText(MessageManager - .getString("label.create_viewer_attributes_tip")); + writeFeatures.setToolTipText( + MessageManager.getString("label.create_viewer_attributes_tip")); writeFeatures.addActionListener(new ActionListener() { @Override @@ -374,7 +408,7 @@ public class PymolViewer extends StructureViewerBase }); viewerActionMenu.add(writeFeatures); } - + @Override protected void buildActionMenu() { @@ -385,8 +419,8 @@ public class PymolViewer extends StructureViewerBase protected void sendFeaturesToPymol() { int count = binding.sendFeaturesToViewer(getAlignmentPanel()); - statusBar.setText( - MessageManager.formatMessage("label.attributes_set", count, getViewerName())); + statusBar.setText(MessageManager.formatMessage("label.attributes_set", + count, getViewerName())); } }