Revision: 20359
http://sourceforge.net/p/jmol/code/20359
Author: hansonr
Date: 2015-03-05 13:36:50 +0000 (Thu, 05 Mar 2015)
Log Message:
-----------
Jmol.___JmolVersion="14.3.12_2015.03.06"
new feature: NBO command with no arguments starts NBO panel (Java application
only)
Modified Paths:
--------------
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
Added Paths:
-----------
trunk/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
Removed Paths:
-------------
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
Modified: trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
2015-03-05 13:33:56 UTC (rev 20358)
+++ trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
2015-03-05 13:36:50 UTC (rev 20359)
@@ -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;
Deleted: trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
2015-03-05 13:33:56 UTC (rev 20358)
+++ trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
2015-03-05 13:36:50 UTC (rev 20359)
@@ -1,591 +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.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 {
-
- 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 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(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() {
- 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(newLabel("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;
- }
-
- 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 = 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(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);
- 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);
- }
- }
-
-}
Copied: trunk/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java (from rev
20358, trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java)
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java
(rev 0)
+++ trunk/Jmol/src/org/openscience/jmol/app/nbo/NBODialog.java 2015-03-05
13:36:50 UTC (rev 20359)
@@ -0,0 +1,590 @@
+/* $RCSfile$
+ * $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(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() {
+ 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(newLabel("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;
+ }
+
+ 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 = 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(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);
+ 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);
+ }
+ }
+
+}
Modified: trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java 2015-03-05
13:33:56 UTC (rev 20358)
+++ trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java 2015-03-05
13:36:50 UTC (rev 20359)
@@ -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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