Revision: 20308
http://sourceforge.net/p/jmol/code/20308
Author: hansonr
Date: 2015-02-20 00:48:33 +0000 (Fri, 20 Feb 2015)
Log Message:
-----------
Jmol.___JmolVersion="14.3.12_2015.02.19"
bug fix: "write image 500 500 png ?" broken
NBO raw format
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/scriptext/CmdExt.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
Modified: trunk/Jmol/src/org/jmol/scriptext/CmdExt.java
===================================================================
--- trunk/Jmol/src/org/jmol/scriptext/CmdExt.java 2015-02-18 22:57:53 UTC
(rev 20307)
+++ trunk/Jmol/src/org/jmol/scriptext/CmdExt.java 2015-02-20 00:48:33 UTC
(rev 20308)
@@ -3149,7 +3149,7 @@
tok = T.image;
break;
}
- if (tok == T.image) {
+ if (tok == T.image && pt < args.length) {
T t = T.getTokenFromName(SV.sValue(args[pt]).toLowerCase());
if (t != null) {
type = SV.sValue(t).toUpperCase();
@@ -3229,6 +3229,9 @@
break;
case T.clipboard:
break;
+ case T.opIf:
+ fileName = (type.equals("IMAGE") || type.equals("(image)") ?
"?jmol.png" : "?jmol." + type.toLowerCase());
+ break;
case T.identifier:
case T.string:
fileName = SV.sValue(tokenAt(pt, args));
@@ -3237,6 +3240,7 @@
fileName = null;
break;
default:
+ System.out.println(T.nameOf(tokAtArray(pt, args)));
invArg();
}
if (type.equals("IMAGE") || type.equals("(image)")
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2015-02-18 22:57:53 UTC
(rev 20307)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2015-02-20 00:48:33 UTC
(rev 20308)
@@ -15,8 +15,12 @@
TODO: remove HTML5 dependency on synchronous file loading (check SCRIPT
command for problems)
TODO: add 2D graphics panel for Ramachandran and NBO-style 2D graphics -- send
to browser as data uri?
-Jmol.___JmolVersion="14.2.12_2015.02.18b"
+Jmol.___JmolVersion="14.3.12_2015.02.19"
+bug fix: "write image 500 500 png ?" broken
+
+JmolVersion="14.3.12_2015.02.18b"
+
bug fix: CML reader does not show proper atom names for crystal structures
bug fix: POV-Ray renderer does not show proper backbone width (since forever)
bug fix: POV-Ray renderer with a translucent surface shows bonds that should
be hidden (since 13.1)
Modified: trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
2015-02-18 22:57:53 UTC (rev 20307)
+++ trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/NBODialog.java
2015-02-20 00:48:33 UTC (rev 20308)
@@ -32,6 +32,7 @@
import java.awt.Dimension;
import java.awt.FlowLayout;
import java.awt.Font;
+import java.awt.Rectangle;
import java.awt.event.ActionEvent;
import java.awt.event.ActionListener;
@@ -48,6 +49,7 @@
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;
@@ -72,17 +74,19 @@
private JTextPane nboOutput;
- private JScrollPane editPane2;
+ protected JScrollPane editPane2;
private JTabbedPane inputTabs;
private Component modelPanel;
+ private Component rawPanel;
+
private Component viewPanel;
private Component runPanel;
- private JTextField modelField, viewField, runField;
+ private JTextField modelField, rawField, viewField, runField;
private NBOService nboService;
@@ -151,6 +155,15 @@
});
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
@@ -213,6 +226,7 @@
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);
@@ -230,7 +244,8 @@
nboOutput = new JTextPane();
nboOutput.setContentType("text/plain");
nboOutput.setFont(new Font("Monospaced", Font.PLAIN, 10));
- editPane2 = new JScrollPane(nboOutput);
+ editPane2 = new JScrollPane();
+ editPane2.getViewport().add(nboOutput);
editPanel.add(editPane2);
editPanel.setPreferredSize(new Dimension(500,100));
@@ -248,6 +263,7 @@
Component c = inputTabs.getSelectedComponent();
modelPanel.setVisible(c == modelPanel);
viewPanel.setVisible(c == viewPanel);
+ rawPanel.setVisible(c == rawPanel);
runPanel.setVisible(c == runPanel);
pack();
}
@@ -315,6 +331,27 @@
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);
@@ -324,15 +361,6 @@
/////////////////////////////////////////////////////////
- public void nboReport(String s) {
- nboOutput.setText(s == null ? "" : nboOutput.getText() + s + "\n");
- try {
- editPane2.getVerticalScrollBar().setValue(Integer.MAX_VALUE);
- } catch (Exception e) {
- //
- }
- }
-
protected void modelCmd() {
nboReport(null);
Map<String, Object> info = new Hashtable<String, Object>();
@@ -351,7 +379,7 @@
}
info.put("value", cmd.substring(3));
if (!nboService.processRequest(info)) {
- clearInfo();
+ nboReport(null);
nboReport("You must connect first.");
}
}
@@ -365,7 +393,7 @@
String cmd = runField.getText();
info.put("value", cmd);
if (!nboService.processRequest(info)) {
- clearInfo();
+ nboReport(null);
nboReport("not implemented");
}
}
@@ -379,14 +407,29 @@
String cmd = viewField.getText();
info.put("value", cmd);
if (!nboService.processRequest(info)) {
- clearInfo();
+ 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();
- clearInfo();
+ nboReport(null);
String err = nboService.startProcess(true); // synchronous?
if (err == null) {
nboReport("listening...");
@@ -395,6 +438,10 @@
}
}
+ protected void clearPressed() {
+ nboReport(null);
+ }
+
/**
* Responds to cancel being press- or equivalent eg window closed.
*/
@@ -480,9 +527,21 @@
//workingPathLabel.setText(nboService.workingPath);
}
- void clearInfo() {
- nboOutput.setText("");
+ 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: trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java 2015-02-18
22:57:53 UTC (rev 20307)
+++ trunk/Jmol/src/org/openscience/jmol/app/nbo/NBOService.java 2015-02-20
00:48:33 UTC (rev 20308)
@@ -53,6 +53,7 @@
public static final int VIEW = 3;
+ public static final int RAW = 4;
private transient Viewer vwr;
@@ -135,6 +136,9 @@
case VIEW:
s = (String) info.get("value");
break;
+ case RAW:
+ s = (String) info.get("value");
+ break;
default:
nboReport("unknown mode");
s = null;
@@ -163,7 +167,7 @@
* @param s
*/
private void sendToNBO(int mode, String s) {
- s = mode + "\n" + s + "\nexit" + (nboSync ? "\nexit" : "");
+ s = (mode == RAW ? s + "\n" : mode + "\n" + s + "\nexit" + (nboSync ?
"\nexit" : ""));
sendCmd(s);
}
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