Revision: 20362
http://sourceforge.net/p/jmol/code/20362
Author: hansonr
Date: 2015-03-05 14:45:14 +0000 (Thu, 05 Mar 2015)
Log Message:
-----------
Jmol.___JmolVersion="14.2.13_2015.03.06"
synchronized with 14.3.12_2015.03.06
released
adds IMAGE command, Windows BMP image file reading
Modified Paths:
--------------
branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/SpartanArchive.java
branches/v14_2/Jmol/src/org/jmol/jvxl/calc/MarchingSquares.java
branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlReader.java
branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlXmlReader.java
branches/v14_2/Jmol/src/org/jmol/scriptext/IsoExt.java
branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
Added Paths:
-----------
branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
Removed Paths:
-------------
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
Modified:
branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/SpartanArchive.java
===================================================================
---
branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/SpartanArchive.java
2015-03-05 14:40:08 UTC (rev 20361)
+++
branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/SpartanArchive.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -149,7 +149,7 @@
r.setAtomCoordScaled(atom, tokens, 1,
AtomSetCollectionReader.ANGSTROMS_PER_BOHR);
}
if (doAddAtoms && Logger.debugging) {
- Logger.debug(ac + " atoms read");
+ Logger.debug(r.asc.ac + " atoms read");
}
}
@@ -238,7 +238,7 @@
iBasis = QS.S;
break;
case 1:
- iBasis = QS.SP;
+ iBasis = (isSpherical ? QS.P : QS.SP);
break;
case 2:
iBasis = (isSpherical ? QS.DS : QS.DC);
@@ -266,6 +266,9 @@
case QS.S:
data[1] = parseFloat(tokens[0]);
break;
+ case QS.P:
+ data[1] = parseFloat(tokens[1]);
+ break;
case QS.SP:
data[1] = parseFloat(tokens[0]);
data[2] = parseFloat(tokens[1]);
Modified: branches/v14_2/Jmol/src/org/jmol/jvxl/calc/MarchingSquares.java
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/jvxl/calc/MarchingSquares.java
2015-03-05 14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/jmol/jvxl/calc/MarchingSquares.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -113,6 +113,11 @@
void setValue(float value) {
this.value = value;
}
+
+ @Override
+ public String toString() {
+ return value + " " + x + " " + y + " " + z;
+ }
}
@@ -167,7 +172,6 @@
* @return 0
*/
public int addTriangle(int iA, int iB, int iC, int check, int iContour) {
- //System.out.println("addT " + iA + " " + iB + " " + iC);
if (triangleCount == triangles.length)
triangles = (Triangle[]) AU.doubleLength(triangles);
triangles[triangleCount++] = new Triangle(iA, iB, iC, check, iContour);
@@ -253,11 +257,12 @@
cutoff = (cutoff < 0 ? -zeroOffset : zeroOffset);
contourValuesUsed[i] = cutoff;
- Logger.info("#contour " + (i + 1)+ " " + cutoff);
+ Logger.info("#contour " + (i + 1)+ " " + cutoff + " " + triangleCount);
htPts.clear();
- for (int ii = triangleCount; --ii >= 0;)
+ for (int ii = triangleCount; --ii >= 0;) {
if (triangles[ii].isValid)
checkContour(triangles[ii], i, cutoff);
+ }
if (thisContour > 0) {
if (i + 1 == thisContour)
minCutoff = cutoff;
@@ -305,7 +310,6 @@
return htPts.get(key).intValue();
float valueA = contourVertexes[iA].value;
float valueB = contourVertexes[iB].value;
- //System.out.println(iA + " " + iB + " " + valueA + " " + value + " " +
valueB);
int iPt = -1;
if (valueA != valueB) {
float f = (value - valueA) / (valueB - valueA);
@@ -331,9 +335,6 @@
private void checkContour(Triangle t, int i, float value) {
if (thisContour > 0 && i + 1 != thisContour)
return;
- //System.out.println(" ms i=" + i + " " + contourVertexes[pts[0]].value +
" " + contourVertexes[pts[1]].value + " " + contourVertexes[pts[2]].value + " "
+ value);
- //System.out.println(pts[0] + " " + pts[1] + " " + pts[2]);
- //System.out.println(contourVertexes[pts[0]] + "\n" +
contourVertexes[pts[1]] + "\n" + contourVertexes[pts[2]]);
int ipt0 = intercept(t, 0, value);
int ipt1 = intercept(t, 1, value);
int ipt2 = intercept(t, 2, value);
@@ -377,7 +378,6 @@
for (int i = 0; i < triangleCount; i++)
if (triangles[i].isValid) {
Triangle t = triangles[i];
- //System.out.println(contourVertexes[t.pts[0]].value + " " +
contourVertexes[t.pts[1]].value + " " + contourVertexes[t.pts[2]].value + " "
);
surfaceReader.addTriangleCheck(t.pts[0], t.pts[1], t.pts[2], t.check,
t.contourIndex, false, -1);
}
Modified: branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlReader.java
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlReader.java
2015-03-05 14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlReader.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -234,7 +234,7 @@
params.isBicolorMap = (param1 > 0 && param2 < 0);
jvxlDataIsColorMapped = (param3 != 0);
if (jvxlDataIsColorMapped)
- jvxlData.colorScheme = "RGB"; // legacy
+ jvxlData.colorScheme = "RGB"; // legacy; but can't remap contours
jvxlDataIs2dContour = (jvxlDataIsColorMapped && params.isContoured);
if (params.isBicolorMap || params.colorBySign)
Modified: branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlXmlReader.java
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlXmlReader.java
2015-03-05 14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/jmol/jvxl/readers/JvxlXmlReader.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -692,12 +692,13 @@
params.mappedDataMin = contourPlaneMinimumValue;
params.mappedDataMax = contourPlaneMaximumValue;
}
- if (jvxlData.colorScheme != null)
+ if (jvxlData.colorScheme != null) {
+ boolean setContourValue = (marchingSquares != null &&
params.isContoured);
for (int i = 0; i < vertexCount; i += vertexIncrement) {
float value = vertexValues[i];
//note: these are just default colorings
//orbital color had a bug through 11.2.6/11.3.6
- if (marchingSquares != null && params.isContoured) {
+ if (setContourValue) {
marchingSquares.setContourData(i, value);
continue;
}
@@ -707,6 +708,7 @@
colixes[i] = C.getColixTranslucent3(colix, true,
jvxlData.translucency);
}
+ }
return jvxlColorDataRead + "\n";
}
Modified: branches/v14_2/Jmol/src/org/jmol/scriptext/IsoExt.java
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/scriptext/IsoExt.java 2015-03-05
14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/jmol/scriptext/IsoExt.java 2015-03-05
14:45:14 UTC (rev 20362)
@@ -725,6 +725,16 @@
BS bsModels = vwr.getVisibleFramesBitSet();
Lst<Object[]> propertyList = new Lst<Object[]>();
int i0 = 1;
+ if (tokAt(0) == T.nbo && e.slen == 1) {
+ // NBO command by itself starts the NBO Server Interface panel
+ if (!chk) {
+ Map<String, Object> htParams = new Hashtable<String, Object>();
+ htParams.put("service", "nbo");
+ htParams.put("action", "showPanel");
+ vwr.sm.processService(htParams);
+ }
+ return;
+ }
if (tokAt(1) == T.model || tokAt(1) == T.frame) {
i0 = eval.modelNumberParameter(2);
if (i0 < 0)
Modified: branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2015-03-05
14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2015-03-05
14:45:14 UTC (rev 20362)
@@ -4,12 +4,23 @@
# THIS IS THE RELEASE BRANCH
# BUG FIXES ONLY, PLEASE
-Jmol.___JmolVersion="14.2.13_2015.03.05"
+Jmol.___JmolVersion="14.2.13_2015.03.06"
+synchronized with 14.3.12_2015.03.06
+released
-synchronized with 14.3.12_2015.03.05b
+adds IMAGE command, Windows BMP image file reading
+
+new feature: NBO command with no arguments starts NBO panel (Java application
only)
+
+JmolVersion="14.3.12_2015.03.05b"
+synchronized with 14.2.13_2015.03.05
+
+bug fix: reading legacy mapped plane (2ptn-molecular_slice1.jvxl.txt) crashes
Jmol
+
+JmolVersion="14.3.12_2015.03.05"
+synchronized with 14.2.13_2015.03.05
released
-bug fix: reading legacy mapped plane (2ptn-molecular_slice1.jvxl.txt) crashes
Jmol
bug fix: (14.3 only) write VRML|MAYA|OBJ|POVRAY broken
JmolVersion="14.3.12_2015.03.01"
Modified:
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
===================================================================
--- branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
2015-03-05 14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -38,6 +38,7 @@
import org.openscience.jmol.app.jsonkiosk.JsonNioClient;
import org.openscience.jmol.app.jsonkiosk.JsonNioServer;
import org.openscience.jmol.app.jsonkiosk.KioskFrame;
+import org.openscience.jmol.app.nbo.NBODialog;
import org.openscience.jmol.app.nbo.NBOService;
import org.openscience.jmol.app.surfacetool.SurfaceTool;
import org.jmol.script.T;
@@ -1094,11 +1095,7 @@
@Override
public void actionPerformed(ActionEvent e) {
- getNBOService();
- if (nboDialog == null)
- nboDialog = new NBODialog(frame, vwr, nboService);
- else
- nboDialog.setVisible(true);
+ startNBO();
}
}
@@ -1121,6 +1118,14 @@
newFrame.setVisible(true);
}
+ void startNBO() {
+ getNBOService();
+ if (nboDialog == null)
+ nboDialog = new NBODialog(frame, vwr, nboService);
+ else
+ nboDialog.setVisible(true);
+ }
+
class UguideAction extends AbstractAction {
public UguideAction() {
Deleted:
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
===================================================================
--- branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
2015-03-05 14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -1,546 +0,0 @@
-/* $RCSfile$
- * $Author: hansonr $
- * $Date: 2014-12-13 22:43:17 -0600 (Sat, 13 Dec 2014) $
- * $Revision: 20162 $
- *
- * Copyright (C) 2002-2005 The Jmol Development Team
- *
- * Contact: jmol-develop...@lists.sf.net
- *
- * This library is free software; you can redistribute it and/or
- * modify it under the terms of the GNU Lesser General Public
- * License as published by the Free Software Foundation; either
- * version 2.1 of the License, or (at your option) any later version.
- *
- * This library 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
- * Lesser General Public License for more details.
- *
- * You should have received a copy of the GNU Lesser General Public
- * License along with this library; if not, write to the Free Software
- * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
- */
-package org.openscience.jmol.app.jmolpanel;
-
-import org.jmol.viewer.Viewer;
-import org.jmol.i18n.GT;
-import org.openscience.jmol.app.nbo.NBOService;
-
-import java.awt.BorderLayout;
-import java.awt.Component;
-import java.awt.Dimension;
-import java.awt.FlowLayout;
-import java.awt.Font;
-import java.awt.event.ActionEvent;
-import java.awt.event.ActionListener;
-
-import javax.swing.BorderFactory;
-import javax.swing.Box;
-import javax.swing.BoxLayout;
-import javax.swing.JButton;
-import javax.swing.JDialog;
-import javax.swing.JFileChooser;
-import javax.swing.JFrame;
-import javax.swing.JPanel;
-import javax.swing.JScrollPane;
-import javax.swing.JSplitPane;
-import javax.swing.JTabbedPane;
-import javax.swing.JTextField;
-import javax.swing.JTextPane;
-import javax.swing.SwingUtilities;
-import javax.swing.border.TitledBorder;
-import javax.swing.event.ChangeEvent;
-import javax.swing.event.ChangeListener;
-
-import java.io.File;
-import java.util.Hashtable;
-import java.util.Map;
-/**
- * A dialog for interacting with NBO-Server (experimental)
- */
-public class NBODialog extends JDialog implements ChangeListener {
-
- private transient Viewer vwr;
-
- protected JButton nboPathButton;
- //protected JTextField commandLineField;
- protected JTextField Field;
- protected JTextField dataPathLabel;
- protected JTextField serverPathLabel;
-
-// private JTextField workingPathLabel;
-
- private JTextPane nboOutput;
-
- protected JScrollPane editPane2;
-
- private JTabbedPane inputTabs;
-
- private Component modelPanel;
-
- private Component rawPanel;
-
- private Component viewPanel;
-
- private Component runPanel;
-
- private JTextField modelField, rawField, viewField, runField;
-
- private NBOService nboService;
-
- /**
- * Creates a dialog for getting info related to output frames in nbo format.
- *
- * @param f
- * The frame assosiated with the dialog
- * @param vwr
- * The interacting display we are reproducing (source of view angle
- * info etc)
- * @param nboService
- */
- public NBODialog(JFrame f, Viewer vwr, NBOService nboService) {
-
- super(f, GT._("NBO-Server Interface Setup"), false);
- this.vwr = vwr;
- this.nboService = nboService;
- nboService.nboDialog = this;
- JPanel container = new JPanel();
- container.setPreferredSize(new Dimension(700, 300));
- container.setLayout(new BoxLayout(container, BoxLayout.Y_AXIS));
- JPanel leftPanel = buildLeftPanel();
- JPanel rightPanel = buildRightPanel();
- JSplitPane splitPane = new JSplitPane(JSplitPane.HORIZONTAL_SPLIT,
- leftPanel, rightPanel);
- splitPane.setOneTouchExpandable(true);
- JPanel splitPanel = new JPanel(new BorderLayout());
- splitPanel.add(splitPane, BorderLayout.CENTER);
-
- JPanel filePanel = buildFilePanel();
- JPanel buttonPanel = buildButtonPanel();
-
- JPanel gluePanel = new JPanel(new BorderLayout());
-// gluePanel.add(Box.createGlue(), BorderLayout.NORTH);
- gluePanel.add(filePanel, BorderLayout.SOUTH);
- //container.add(gluePanel);
- container.add(filePanel);
- container.add(buttonPanel);
- container.add(Box.createGlue());
- container.add(splitPanel);
- getContentPane().add(container);
-
- pack();
- centerDialog();
- getPathHistory();
- setVisible(true);
- splitPane.setDividerLocation(0.5);
- }
-
- private JPanel buildButtonPanel() {
-
- JPanel buttonPanel = new JPanel();
- buttonPanel.setLayout(new FlowLayout(FlowLayout.RIGHT));
-
- //GUI for panel with go, cancel and stop (etc) buttons
- Box buttonBox = Box.createHorizontalBox();
- buttonBox.add(Box.createGlue());
-
- JButton b = new JButton("Connect");
- b.addActionListener(new ActionListener() {
- @Override
- public void actionPerformed(ActionEvent e) {
- connectPressed();
- }
- });
- buttonBox.add(b);
-
- b = new JButton("Clear");
- b.addActionListener(new ActionListener() {
- @Override
- public void actionPerformed(ActionEvent e) {
- clearPressed();
- }
- });
- buttonBox.add(b);
-
- b = new JButton("Close");
- b.addActionListener(new ActionListener() {
- @Override
- public void actionPerformed(ActionEvent e) {
- closePressed();
- }
- });
- buttonBox.add(b);
- buttonPanel.add(buttonBox);
- return buttonPanel;
- }
-
- private JPanel buildFilePanel() {
-
- JPanel filePanel = new JPanel(new BorderLayout());
-
-
- //GUI for working path selection
-// Box workingPathBox = Box.createHorizontalBox();
-// workingPathBox.setBorder(new TitledBorder("Working Directory"));
-// workingPathLabel = new JTextField("");
-// workingPathLabel.setEditable(false);
-// workingPathLabel.setBorder(null);
-// workingPathBox.add(workingPathLabel);
-// JButton pathButton = new JButton("Browse...");
-// pathButton.addActionListener(new ActionListener() {
-//
-// @Override
-// public void actionPerformed(ActionEvent e) {
-// showWorkingPathDialog();
-// }
-// });
-// workingPathBox.add(pathButton);
-// filePanel.add(workingPathBox, BorderLayout.NORTH);
-
- //GUI for NBO path selection
- Box nboPathBox = Box.createHorizontalBox();
- nboPathBox.setBorder(new TitledBorder("Location of the NBO-Server
Executable"));
- serverPathLabel = new JTextField("");
- serverPathLabel.setEditable(false);
- serverPathLabel.setBorder(null);
- nboPathBox.add(serverPathLabel);
- nboPathButton = new JButton("Browse...");
- nboPathButton.addActionListener(new ActionListener() {
-
- @Override
- public void actionPerformed(ActionEvent e) {
- showNBOPathDialog();
- }
- });
- nboPathBox.add(nboPathButton);
- filePanel.add(nboPathBox, BorderLayout.NORTH);
- return filePanel;
- }
-
- private JPanel buildLeftPanel() {
-
- JPanel showPanel = new JPanel(new BorderLayout());
- inputTabs = new JTabbedPane();
- inputTabs.addTab("Model", null, modelPanel = getModelPanel());
- inputTabs.addTab("Run", null, runPanel = getRunPanel());
- inputTabs.addTab("View", null, viewPanel = getViewPanel());
- inputTabs.addTab("Raw", null, rawPanel = getRawPanel());
- inputTabs.setSelectedComponent(modelPanel);
- inputTabs.addChangeListener(this);
- showPanel.add(inputTabs, BorderLayout.CENTER);
- return showPanel;
- }
-
- private JPanel buildRightPanel() {
-
- JPanel editPanel = new JPanel();
- editPanel.setLayout(new BoxLayout(editPanel, BoxLayout.Y_AXIS));
-
- TitledBorder editTitle =
- BorderFactory.createTitledBorder("NBO Output");
- editPanel.setBorder(editTitle);
- nboOutput = new JTextPane();
- nboOutput.setContentType("text/plain");
- nboOutput.setFont(new Font("Monospaced", Font.PLAIN, 10));
- editPane2 = new JScrollPane();
- editPane2.getViewport().add(nboOutput);
- editPanel.add(editPane2);
-
- editPanel.setPreferredSize(new Dimension(500,100));
- return editPanel;
- }
-
- @Override
- public void stateChanged(ChangeEvent event) {
- if (event.getSource() == inputTabs) {
- tabSwitched();
- }
- }
-
- private void tabSwitched() {
- Component c = inputTabs.getSelectedComponent();
- modelPanel.setVisible(c == modelPanel);
- viewPanel.setVisible(c == viewPanel);
- rawPanel.setVisible(c == rawPanel);
- runPanel.setVisible(c == runPanel);
- pack();
- }
-
- private Component getModelPanel() {
- modelField = new JTextField("sh CH4");
- modelField.setPreferredSize(new Dimension(100, 10));
- modelField.addActionListener(new ActionListener() {
- @Override
- public void actionPerformed(ActionEvent e) {
- modelCmd();
- }}
- );
- JPanel showPanel = new JPanel(new BorderLayout());
- Box a = Box.createVerticalBox();
- Box b = Box.createHorizontalBox();
- b.add(newLabel("Model Command"));
- b.add(modelField);
- a.add(b);
- a.add(Box.createVerticalGlue());
- showPanel.add(a, BorderLayout.NORTH);
- //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
- return showPanel;
- }
-
- private Component getViewPanel() {
- viewField = new JTextField("");
- viewField.setPreferredSize(new Dimension(100, 10));
- viewField.addActionListener(new ActionListener() {
- @Override
- public void actionPerformed(ActionEvent e) {
- viewCmd();
- }}
- );
- JPanel showPanel = new JPanel(new BorderLayout());
- Box a = Box.createVerticalBox();
- Box b = Box.createHorizontalBox();
- b.add(newLabel("View Command"));
- b.add(viewField);
- a.add(b);
- a.add(Box.createVerticalGlue());
- showPanel.add(a, BorderLayout.NORTH);
- //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
- return showPanel;
- }
-
- private Component getRunPanel() {
- runField = new JTextField("");
- runField.setPreferredSize(new Dimension(100, 10));
- runField.addActionListener(new ActionListener() {
- @Override
- public void actionPerformed(ActionEvent e) {
- runCmd();
- }}
- );
- JPanel showPanel = new JPanel(new BorderLayout());
- Box a = Box.createVerticalBox();
- Box b = Box.createHorizontalBox();
- b.add(newLabel("Run Command"));
- b.add(runField);
- a.add(b);
- a.add(Box.createVerticalGlue());
- showPanel.add(a, BorderLayout.NORTH);
- //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
- return showPanel;
- }
-
- private Component getRawPanel() {
- rawField = new JTextField("");
- rawField.setPreferredSize(new Dimension(100, 10));
- rawField.addActionListener(new ActionListener() {
- @Override
- public void actionPerformed(ActionEvent e) {
- rawCmd();
- }}
- );
- JPanel showPanel = new JPanel(new BorderLayout());
- Box a = Box.createVerticalBox();
- Box b = Box.createHorizontalBox();
- b.add(newLabel("Raw Command"));
- b.add(rawField);
- a.add(b);
- a.add(Box.createVerticalGlue());
- showPanel.add(a, BorderLayout.NORTH);
- //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
- return showPanel;
- }
-
- private Component newLabel(String label) {
- JTextField t = new JTextField(label);
- t.setEditable(false);
- t.setBorder(null);
- return t;
- }
-
- /////////////////////////////////////////////////////////
-
- protected void modelCmd() {
- nboReport(null);
- Map<String, Object> info = new Hashtable<String, Object>();
- info.put("mode", Integer.valueOf(NBOService.MODEL));
- info.put("sync", Boolean.FALSE);
- String cmd = modelField.getText();
- if (cmd.startsWith("sh ")) {
- info.put("action", "load");
- info.put("value", cmd.substring(3));
- } else {
- info.put("action", "run");
- String fname = nboService.workingPath + File.separator + "jmol.orc";
- String orcData = "%coords\ncoords\n" + vwr.getData("*", "USER:%-2e
%10.5x %10.5y %10.5z") + "end\nend\n";
- vwr.writeTextFile(fname, orcData);
- cmd = "___use.orc " + fname + "\n" + cmd;
- }
- info.put("value", cmd.substring(3));
- if (!nboService.processRequest(info)) {
- nboReport(null);
- nboReport("You must connect first.");
- }
- }
-
- protected void runCmd() {
- nboReport(null);
- Map<String, Object> info = new Hashtable<String, Object>();
- info.put("mode", Integer.valueOf(NBOService.RUN));
- info.put("sync", Boolean.FALSE);
- info.put("action", "run");
- String cmd = runField.getText();
- info.put("value", cmd);
- if (!nboService.processRequest(info)) {
- nboReport(null);
- nboReport("not implemented");
- }
- }
-
- protected void viewCmd() {
- nboReport(null);
- Map<String, Object> info = new Hashtable<String, Object>();
- info.put("mode", Integer.valueOf(NBOService.VIEW));
- info.put("sync", Boolean.FALSE);
- info.put("action", "view");
- String cmd = viewField.getText();
- info.put("value", cmd);
- if (!nboService.processRequest(info)) {
- nboReport(null);
- nboReport("not implemented");
- }
- }
-
- protected void rawCmd() {
- nboReport(null);
- Map<String, Object> info = new Hashtable<String, Object>();
- info.put("mode", Integer.valueOf(NBOService.RAW));
- info.put("sync", Boolean.FALSE);
- info.put("action", "cmd");
- String cmd = rawField.getText();
- rawField.setText("");
- info.put("value", cmd);
- if (!nboService.processRequest(info)) {
- nboReport(null);
- nboReport("not implemented");
- }
- }
-
- protected void connectPressed() {
- nboService.closeProcess();
- nboReport(null);
- String err = nboService.startProcess(true); // synchronous?
- if (err == null) {
- nboReport("listening...");
- } else {
- nboReport(err);
- }
- }
-
- protected void clearPressed() {
- nboReport(null);
- }
-
- /**
- * Responds to cancel being press- or equivalent eg window closed.
- */
- void closePressed() {
- nboService.closeProcess();
- nboService.saveHistory();
- setVisible(false);
- dispose();
- }
-
- @Override
- public void setVisible(boolean b) {
- super.setVisible(b);
- }
-// /**
-// * Show a file selector when the savePath button is pressed.
-// */
-// void showWorkingPathDialog() {
-//
-// JFileChooser myChooser = new JFileChooser();
-// myChooser.setFileSelectionMode(JFileChooser.DIRECTORIES_ONLY);
-// String fname = workingPathLabel.getText();
-// myChooser.setSelectedFile(new File(fname));
-//
-// int button = myChooser.showDialog(this, GT._("Select"));
-// if (button == JFileChooser.APPROVE_OPTION) {
-// File newFile = myChooser.getSelectedFile();
-// String path;
-// if (newFile.isDirectory()) {
-// path = newFile.toString();
-// } else {
-// path = newFile.getParent();
-// }
-// workingPathLabel.setText(path);
-// pack();
-// nboService.workingPath = path;
-// nboService.saveHistory();
-// }
-// }
-
- /**
- * Show a file selector when the savePath button is pressed.
- */
- void showNBOPathDialog() {
-
- JFileChooser myChooser = new JFileChooser();
- String fname = serverPathLabel.getText();
- myChooser.setSelectedFile(new File(fname));
- int button = myChooser.showDialog(this, GT._("Select"));
- if (button == JFileChooser.APPROVE_OPTION) {
- File newFile = myChooser.getSelectedFile();
- String path = newFile.toString();
- if (path.indexOf("NBO") < 0)
- return;
- serverPathLabel.setText(path);
- nboService.serverPath = path;
- nboService.saveHistory();
- pack();
- }
- }
-
- /**
- * Centers the dialog on the screen.
- */
- protected void centerDialog() {
-
- Dimension screenSize = this.getToolkit().getScreenSize();
- Dimension size = this.getSize();
- screenSize.height = screenSize.height / 2;
- screenSize.width = screenSize.width / 2;
- size.height = size.height / 2;
- size.width = size.width / 2;
- int y = screenSize.height - size.height;
- int x = screenSize.width - size.width;
- this.setLocation(x, y);
- }
-
- /**
- * Just recovers the path settings from last session.
- */
- private void getPathHistory() {
- serverPathLabel.setText(nboService.serverPath);
- //workingPathLabel.setText(nboService.workingPath);
- }
-
- public synchronized void nboReport(String s) {
- try {
- nboOutput.setText(s == null ? "" : nboOutput.getText() + s + "\n");
- } catch (Exception e) {
- System.out.println(e);
- }
- try {
- SwingUtilities.invokeLater(new Runnable(){
- @Override
- public void run() {
-
editPane2.getVerticalScrollBar().setValue(editPane2.getVerticalScrollBar().getMaximum());
- }});
- } catch (Exception e) {
- System.out.println(e);
- }
- }
-
-}
Modified:
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
===================================================================
---
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
2015-03-05 14:40:08 UTC (rev 20361)
+++
branches/v14_2/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -175,7 +175,10 @@
try {
String service = (String) info.get("service");
if ("nbo".equals(service)) {
- display.jmolPanel.getNBOService().processRequest(info);
+ if ("showPanel".equals(info.get("action")))
+ jmol.startNBO();
+ else
+ jmol.getNBOService().processRequest(info);
}
} catch (Exception e) {
// ignore
@@ -270,7 +273,7 @@
"getAppConsole", null);
if (appConsole != null)
appConsole.sendConsoleEcho(null);
- display.jmolPanel.updateLabels();
+ jmol.updateLabels();
return;
}
}
Added: branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
===================================================================
--- branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
(rev 0)
+++ branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -0,0 +1,583 @@
+/* $RCSfile$
+ * $Author: hansonr $
+ * $Date: 2014-12-13 22:43:17 -0600 (Sat, 13 Dec 2014) $
+ * $Revision: 20162 $
+ *
+ * Copyright (C) 2002-2005 The Jmol Development Team
+ *
+ * Contact: jmol-develop...@lists.sf.net
+ *
+ * This library is free software; you can redistribute it and/or
+ * modify it under the terms of the GNU Lesser General Public
+ * License as published by the Free Software Foundation; either
+ * version 2.1 of the License, or (at your option) any later version.
+ *
+ * This library 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
+ * Lesser General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public
+ * License along with this library; if not, write to the Free Software
+ * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
+ */
+package org.openscience.jmol.app.nbo;
+
+import org.jmol.viewer.Viewer;
+import org.jmol.i18n.GT;
+
+import java.awt.BorderLayout;
+import java.awt.Component;
+import java.awt.Dimension;
+//import java.awt.FlowLayout;
+import java.awt.Font;
+import java.awt.event.ActionEvent;
+import java.awt.event.ActionListener;
+
+import javax.swing.BorderFactory;
+import javax.swing.Box;
+//import javax.swing.BoxLayout;
+import javax.swing.JButton;
+import javax.swing.JDialog;
+import javax.swing.JFileChooser;
+import javax.swing.JFrame;
+import javax.swing.JLabel;
+import javax.swing.JPanel;
+import javax.swing.JScrollPane;
+//import javax.swing.JSplitPane;
+//import javax.swing.JTabbedPane;
+import javax.swing.JTextField;
+import javax.swing.JTextPane;
+import javax.swing.SwingUtilities;
+import javax.swing.border.TitledBorder;
+import javax.swing.event.ChangeEvent;
+import javax.swing.event.ChangeListener;
+
+import java.io.File;
+import java.util.Hashtable;
+import java.util.Map;
+/**
+ * A dialog for interacting with NBO-Server (experimental)
+ *
+ * Originally had various tabs, but this is simpler.
+ *
+ */
+public class NBODialog extends JDialog implements ChangeListener {
+
+ protected Viewer vwr;
+
+ protected JButton nboPathButton;
+ //protected JTextField commandLineField;
+ protected JTextField Field;
+ protected JTextField dataPathLabel;
+ protected JTextField serverPathLabel;
+
+// private JTextField workingPathLabel;
+
+ private JTextPane nboOutput;
+
+ protected JScrollPane editPane2;
+
+// private JTabbedPane inputTabs;
+
+ //private Component modelPanel;
+ //private Component rawPanel;
+ //private Component viewPanel;
+ //private Component runPanel;
+ private JTextField nboInput;
+
+// private JTextField modelField, rawField, viewField, runField;
+
+ private NBOService nboService;
+
+ private boolean haveService;
+
+ /**
+ * Creates a dialog for getting info related to output frames in nbo format.
+ *
+ * @param f
+ * The frame assosiated with the dialog
+ * @param vwr
+ * The interacting display we are reproducing (source of view angle
+ * info etc)
+ * @param nboService
+ */
+ public NBODialog(JFrame f, Viewer vwr, NBOService nboService) {
+
+ super(f, GT._("NBO Server Interface"), false);
+ this.vwr = vwr;
+ this.nboService = nboService;
+ nboService.nboDialog = this;
+ JPanel container = new JPanel();
+ container.setPreferredSize(new Dimension(700, 500));
+ //container.setLayout(new BoxLayout(container, BoxLayout.Y_AXIS));
+ container.setLayout(new BorderLayout());
+ //JPanel leftPanel = buildLeftPanel();
+ JPanel rightPanel = buildRightPanel();
+ //JSplitPane splitPane = new JSplitPane(JSplitPane.HORIZONTAL_SPLIT,
+ // leftPanel, rightPanel);
+ //splitPane.setOneTouchExpandable(true);
+ //JPanel splitPanel = new JPanel(new BorderLayout());
+ //splitPanel.add(splitPane, BorderLayout.CENTER);
+
+ JPanel filePanel = buildFilePanel();
+ //JPanel buttonPanel = buildButtonPanel();
+ JPanel top = new JPanel();
+ top.setLayout(new BorderLayout());
+ top.add(filePanel, BorderLayout.NORTH);
+ //top.add(buttonPanel, BorderLayout.SOUTH);
+
+// JPanel gluePanel = new JPanel(new BorderLayout());
+// gluePanel.add(Box.createGlue(), BorderLayout.NORTH);
+// gluePanel.add(filePanel, BorderLayout.SOUTH);
+ //container.add(gluePanel);
+ container.add(top, BorderLayout.NORTH);
+ //container.add(Box.createGlue());
+ //container.add(splitPanel);
+ container.add(rightPanel, BorderLayout.CENTER);
+ //container.add(buttonPanel);
+ getContentPane().add(container);
+ pack();
+ centerDialog();
+ setVisible(true);
+ if (haveService)
+ connectPressed();
+ //splitPane.setDividerLocation(0.5);
+ }
+
+// private JPanel buildButtonPanel() {
+//
+// JPanel buttonPanel = new JPanel();
+// buttonPanel.setLayout(new FlowLayout(FlowLayout.RIGHT));
+//
+// //GUI for panel with go, cancel and stop (etc) buttons
+// Box buttonBox = Box.createHorizontalBox();
+// buttonBox.add(Box.createGlue());
+//
+// JButton b = new JButton("Connect");
+// b.addActionListener(new ActionListener() {
+// @Override
+// public void actionPerformed(ActionEvent e) {
+// connectPressed();
+// }
+// });
+// buttonBox.add(b);
+//
+// b = new JButton("Clear");
+// b.addActionListener(new ActionListener() {
+// @Override
+// public void actionPerformed(ActionEvent e) {
+// clearPressed();
+// }
+// });
+// buttonBox.add(b);
+//
+// b = new JButton("Close");
+// b.addActionListener(new ActionListener() {
+// @Override
+// public void actionPerformed(ActionEvent e) {
+// closePressed();
+// }
+// });
+// buttonBox.add(b);
+// buttonPanel.add(buttonBox);
+// return buttonPanel;
+// }
+
+ private JPanel buildFilePanel() {
+
+ JPanel filePanel = new JPanel(new BorderLayout());
+ filePanel.setBorder(new TitledBorder("Location of the NBO-Server
Executable"));
+
+
+ //GUI for working path selection
+// Box workingPathBox = Box.createHorizontalBox();
+// workingPathBox.setBorder(new TitledBorder("Working Directory"));
+// workingPathLabel = new JTextField("");
+// workingPathLabel.setEditable(false);
+// workingPathLabel.setBorder(null);
+// workingPathBox.add(workingPathLabel);
+// JButton pathButton = new JButton("Browse...");
+// pathButton.addActionListener(new ActionListener() {
+//
+// @Override
+// public void actionPerformed(ActionEvent e) {
+// showWorkingPathDialog();
+// }
+// });
+// workingPathBox.add(pathButton);
+// filePanel.add(workingPathBox, BorderLayout.NORTH);
+
+ //GUI for NBO path selection
+ Box box = Box.createHorizontalBox();
+ serverPathLabel = new JTextField("");
+ serverPathLabel.setEditable(false);
+ serverPathLabel.setBorder(null);
+ serverPathLabel.setText(nboService.serverPath);
+ haveService = (serverPathLabel.getText().length() > 0);
+ box.add(serverPathLabel);
+ box.add(new JLabel(" "));
+ nboPathButton = new JButton("Browse...");
+ nboPathButton.addActionListener(new ActionListener() {
+ @Override
+ public void actionPerformed(ActionEvent e) {
+ showNBOPathDialog();
+ }
+ });
+ box.add(nboPathButton);
+
+ filePanel.add(box, BorderLayout.WEST);
+
+ box = Box.createHorizontalBox();
+
+ JButton b = new JButton("Connect");
+ b.addActionListener(new ActionListener() {
+ @Override
+ public void actionPerformed(ActionEvent e) {
+ connectPressed();
+ }
+ });
+ box.add(b);
+
+ b = new JButton("Clear");
+ b.addActionListener(new ActionListener() {
+ @Override
+ public void actionPerformed(ActionEvent e) {
+ clearPressed();
+ }
+ });
+ box.add(b);
+
+ b = new JButton("Close");
+ b.addActionListener(new ActionListener() {
+ @Override
+ public void actionPerformed(ActionEvent e) {
+ closePressed();
+ }
+ });
+ box.add(b);
+
+ filePanel.add(box, BorderLayout.EAST);
+
+
+
+ return filePanel;
+ }
+
+// private JPanel buildLeftPanel() {
+//
+// JPanel showPanel = new JPanel(new BorderLayout());
+// inputTabs = new JTabbedPane();
+// inputTabs.addTab("Model", null, modelPanel = getModelPanel());
+// inputTabs.addTab("Run", null, runPanel = getRunPanel());
+// inputTabs.addTab("View", null, viewPanel = getViewPanel());
+// inputTabs.addTab("Raw", null, rawPanel = getRawPanel());
+// inputTabs.setSelectedComponent(modelPanel);
+// inputTabs.addChangeListener(this);
+// showPanel.add(inputTabs, BorderLayout.CENTER);
+// return showPanel;
+// }
+
+ private JPanel buildRightPanel() {
+
+ JPanel p = new JPanel();
+ p.setLayout(new BorderLayout());
+
+ TitledBorder editTitle =
+ BorderFactory.createTitledBorder("NBO Output");
+ p.setBorder(editTitle);
+ nboOutput = new JTextPane();
+ nboOutput.setContentType("text/plain");
+ nboOutput.setFont(new Font("Monospaced", Font.PLAIN, 12));
+ editPane2 = new JScrollPane();
+ editPane2.getViewport().add(nboOutput);
+ p.add(editPane2, BorderLayout.CENTER);
+ p.add(getRawPanel(), BorderLayout.SOUTH);
+ //p.setPreferredSize(new Dimension(500,100));
+ return p;
+ }
+
+ @Override
+ public void stateChanged(ChangeEvent event) {
+// if (event.getSource() == inputTabs) {
+// tabSwitched();
+// }
+ }
+
+// private void tabSwitched() {
+// Component c = inputTabs.getSelectedComponent();
+// modelPanel.setVisible(c == modelPanel);
+// viewPanel.setVisible(c == viewPanel);
+// rawPanel.setVisible(c == rawPanel);
+// runPanel.setVisible(c == runPanel);
+// pack();
+// }
+
+// private Component getModelPanel() {
+// modelField = new JTextField("sh CH4");
+// modelField.setPreferredSize(new Dimension(100, 10));
+// modelField.addActionListener(new ActionListener() {
+// @Override
+// public void actionPerformed(ActionEvent e) {
+// modelCmd();
+// }}
+// );
+// JPanel showPanel = new JPanel(new BorderLayout());
+// Box a = Box.createVerticalBox();
+// Box b = Box.createHorizontalBox();
+// b.add(new JLabel("Model Command"));
+// b.add(modelField);
+// a.add(b);
+// a.add(Box.createVerticalGlue());
+// showPanel.add(a, BorderLayout.NORTH);
+// //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
+// return showPanel;
+// }
+//
+// private Component getViewPanel() {
+// viewField = new JTextField("");
+// viewField.setPreferredSize(new Dimension(100, 10));
+// viewField.addActionListener(new ActionListener() {
+// @Override
+// public void actionPerformed(ActionEvent e) {
+// viewCmd();
+// }}
+// );
+// JPanel showPanel = new JPanel(new BorderLayout());
+// Box a = Box.createVerticalBox();
+// Box b = Box.createHorizontalBox();
+// b.add(new JLabel("View Command"));
+// b.add(viewField);
+// a.add(b);
+// a.add(Box.createVerticalGlue());
+// showPanel.add(a, BorderLayout.NORTH);
+// //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
+// return showPanel;
+// }
+//
+// private Component getRunPanel() {
+// runField = new JTextField("");
+// runField.setPreferredSize(new Dimension(100, 10));
+// runField.addActionListener(new ActionListener() {
+// @Override
+// public void actionPerformed(ActionEvent e) {
+// runCmd();
+// }}
+// );
+// JPanel showPanel = new JPanel(new BorderLayout());
+// Box a = Box.createVerticalBox();
+// Box b = Box.createHorizontalBox();
+// b.add(new JLabel("Run Command"));
+// b.add(runField);
+// a.add(b);
+// a.add(Box.createVerticalGlue());
+// showPanel.add(a, BorderLayout.NORTH);
+// //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
+// return showPanel;
+// }
+
+ private Component getRawPanel() {
+ nboInput = new JTextField("");
+ nboInput.setPreferredSize(new Dimension(100, 10));
+ nboInput.addActionListener(new ActionListener() {
+ @Override
+ public void actionPerformed(ActionEvent e) {
+ rawCmd();
+ }}
+ );
+ JPanel showPanel = new JPanel(new BorderLayout());
+ Box a = Box.createVerticalBox();
+ Box b = Box.createHorizontalBox();
+ b.add(new JLabel("NBO Input:"));
+ b.add(nboInput);
+ a.add(b);
+ a.add(Box.createVerticalGlue());
+ showPanel.add(a, BorderLayout.NORTH);
+ //showPanel.add(Box.createGlue(), BorderLayout.CENTER);
+ return showPanel;
+ }
+
+ /////////////////////////////////////////////////////////
+
+// protected void modelCmd() {
+// nboReport(null);
+// Map<String, Object> info = new Hashtable<String, Object>();
+// info.put("mode", Integer.valueOf(NBOService.MODEL));
+// info.put("sync", Boolean.FALSE);
+// String cmd = modelField.getText();
+// if (cmd.startsWith("sh ")) {
+// info.put("action", "load");
+// info.put("value", cmd.substring(3));
+// } else {
+// info.put("action", "run");
+// String fname = nboService.workingPath + File.separator + "jmol.orc";
+// String orcData = "%coords\ncoords\n" + vwr.getData("*", "USER:%-2e
%10.5x %10.5y %10.5z") + "end\nend\n";
+// vwr.writeTextFile(fname, orcData);
+// cmd = "___use.orc " + fname + "\n" + cmd;
+// }
+// info.put("value", cmd.substring(3));
+// if (!nboService.processRequest(info)) {
+// nboReport(null);
+// nboReport("You must connect first.");
+// }
+// }
+//
+// protected void runCmd() {
+// nboReport(null);
+// Map<String, Object> info = new Hashtable<String, Object>();
+// info.put("mode", Integer.valueOf(NBOService.RUN));
+// info.put("sync", Boolean.FALSE);
+// info.put("action", "run");
+// String cmd = runField.getText();
+// info.put("value", cmd);
+// if (!nboService.processRequest(info)) {
+// nboReport(null);
+// nboReport("not implemented");
+// }
+// }
+//
+// protected void viewCmd() {
+// nboReport(null);
+// Map<String, Object> info = new Hashtable<String, Object>();
+// info.put("mode", Integer.valueOf(NBOService.VIEW));
+// info.put("sync", Boolean.FALSE);
+// info.put("action", "view");
+// String cmd = viewField.getText();
+// info.put("value", cmd);
+// if (!nboService.processRequest(info)) {
+// nboReport(null);
+// nboReport("not implemented");
+// }
+// }
+
+ protected void rawCmd() {
+ //nboReport(null);
+ Map<String, Object> info = new Hashtable<String, Object>();
+ info.put("mode", Integer.valueOf(NBOService.RAW));
+ info.put("sync", Boolean.FALSE);
+ info.put("action", "cmd");
+ String cmd = nboInput.getText();
+ nboInput.setText("");
+ info.put("value", cmd);
+ nboReport(">> " + cmd);
+ if (!nboService.processRequest(info)) {
+ nboReport(null);
+ nboReport("not implemented");
+ }
+ }
+
+ protected void connectPressed() {
+ nboService.closeProcess();
+ nboReport(null);
+ String err = nboService.startProcess(false);
+ if (err == null) {
+ nboReport("listening...");
+ } else {
+ nboReport(err);
+ }
+ }
+
+ protected void clearPressed() {
+ nboReport(null);
+ }
+
+ /**
+ * Responds to cancel being press- or equivalent eg window closed.
+ */
+ void closePressed() {
+ nboService.closeProcess();
+ nboService.saveHistory();
+ setVisible(false);
+ dispose();
+ }
+
+ @Override
+ public void setVisible(boolean b) {
+ super.setVisible(b);
+ if (haveService)
+ nboInput.requestFocus();
+ else
+ nboPathButton.requestFocus();
+ }
+// /**
+// * Show a file selector when the savePath button is pressed.
+// */
+// void showWorkingPathDialog() {
+//
+// JFileChooser myChooser = new JFileChooser();
+// myChooser.setFileSelectionMode(JFileChooser.DIRECTORIES_ONLY);
+// String fname = workingPathLabel.getText();
+// myChooser.setSelectedFile(new File(fname));
+//
+// int button = myChooser.showDialog(this, GT._("Select"));
+// if (button == JFileChooser.APPROVE_OPTION) {
+// File newFile = myChooser.getSelectedFile();
+// String path;
+// if (newFile.isDirectory()) {
+// path = newFile.toString();
+// } else {
+// path = newFile.getParent();
+// }
+// workingPathLabel.setText(path);
+// pack();
+// nboService.workingPath = path;
+// nboService.saveHistory();
+// }
+// }
+
+ /**
+ * Show a file selector when the savePath button is pressed.
+ */
+ void showNBOPathDialog() {
+
+ JFileChooser myChooser = new JFileChooser();
+ String fname = serverPathLabel.getText();
+ myChooser.setSelectedFile(new File(fname));
+ int button = myChooser.showDialog(this, GT._("Select"));
+ if (button == JFileChooser.APPROVE_OPTION) {
+ File newFile = myChooser.getSelectedFile();
+ String path = newFile.toString();
+ if (path.indexOf("NBO") < 0)
+ return;
+ serverPathLabel.setText(path);
+ nboService.serverPath = path;
+ nboService.saveHistory();
+ pack();
+ }
+ }
+
+ /**
+ * Centers the dialog on the screen.
+ */
+ protected void centerDialog() {
+
+ Dimension screenSize = this.getToolkit().getScreenSize();
+ Dimension size = this.getSize();
+ screenSize.height = screenSize.height / 2;
+ screenSize.width = screenSize.width / 2;
+ size.height = size.height / 2;
+ size.width = size.width / 2;
+ int y = screenSize.height - size.height;
+ int x = screenSize.width - size.width;
+ this.setLocation(x, y);
+ }
+
+ public synchronized void nboReport(String s) {
+ try {
+ nboOutput.setText(s == null ? "" : nboOutput.getText() + s + "\n");
+ } catch (Exception e) {
+ System.out.println(e);
+ }
+ try {
+ SwingUtilities.invokeLater(new Runnable(){
+ @Override
+ public void run() {
+ pack();
+
editPane2.getVerticalScrollBar().setValue(editPane2.getVerticalScrollBar().getMaximum());
+ }});
+ } catch (Exception e) {
+ System.out.println(e);
+ }
+ }
+
+}
Property changes on:
branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
___________________________________________________________________
Added: svn:mime-type
## -0,0 +1 ##
+text/plain
\ No newline at end of property
Modified: branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
===================================================================
--- branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
2015-03-05 14:40:08 UTC (rev 20361)
+++ branches/v14_2/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
2015-03-05 14:45:14 UTC (rev 20362)
@@ -25,7 +25,6 @@
import org.jmol.viewer.Viewer;
import org.openscience.jmol.app.jmolpanel.JmolPanel;
-import org.openscience.jmol.app.jmolpanel.NBODialog;
import java.io.BufferedReader;
import java.io.File;
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