Revision: 20721
http://sourceforge.net/p/jmol/code/20721
Author: hansonr
Date: 2015-08-22 15:39:01 +0000 (Sat, 22 Aug 2015)
Log Message:
-----------
NBO integration merge
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/viewer/JC.java
trunk/Jmol/src/org/jmol/viewer/StateCreator.java
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GuiMap.java
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
Modified: trunk/Jmol/src/org/jmol/viewer/JC.java
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/JC.java 2015-08-22 14:45:50 UTC (rev
20720)
+++ trunk/Jmol/src/org/jmol/viewer/JC.java 2015-08-22 15:39:01 UTC (rev
20721)
@@ -1009,13 +1009,6 @@
return hAlignNames[(align >> TEXT_ALIGN_SHIFT) & 3];
}
- public static final int JSV_NOT = -1;
- public static final int JSV_SEND_JDXMOL = 0;
- public static final int JSV_SETPEAKS = 7;
- public static final int JSV_SELECT = 14;
- public static final int JSV_STRUCTURE = 21;
- public static final int JSV_SEND_H1SIMULATE = 28;
-
public static final int SMILES_EXPLICIT_H = 0x001;
public static final int SMILES_TOPOLOGY = 0x002;
public static final int SMILES_NOAROMATIC = 0x004;
@@ -1032,14 +1025,32 @@
+ public static final int JSV_NOT = -1;
+ public static final int JSV_SEND_JDXMOL = 0;
+ public static final int JSV_SETPEAKS = 7;
+ public static final int JSV_SELECT = 14;
+ public static final int JSV_STRUCTURE = 21;
+ public static final int JSV_SEND_H1SIMULATE = 28;
+ public static final int NBO_MODEL = 35;
+ public static final int NBO_RUN = 42;
+ public static final int NBO_VIEW = 49;
+ public static final int NBO_SEARCH = 56;
+ public static final int NBO_CONFIG = 63;
- public static int getJSVSyncSignal(String script) {
+
+ public static int getServiceCommand(String script) {
return (script.length() < 7 ? -1 : ("" +
- "JSPECVI" +
- "PEAKS: " +
- "SELECT:" +
- "JSVSTR:" +
- "H1SIMUL")
+ "JSPECVI" +
+ "PEAKS: " +
+ "SELECT:" +
+ "JSVSTR:" +
+ "H1SIMUL" +
+ "NBO:MOD" +
+ "NBO:RUN" +
+ "NBO:VIE" +
+ "NBO:SEA" +
+ "NBO:CON"
+ )
.indexOf(script.substring(0, 7).toUpperCase()));
}
Modified: trunk/Jmol/src/org/jmol/viewer/StateCreator.java
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/StateCreator.java 2015-08-22 14:45:50 UTC
(rev 20720)
+++ trunk/Jmol/src/org/jmol/viewer/StateCreator.java 2015-08-22 15:39:01 UTC
(rev 20721)
@@ -23,16 +23,17 @@
package org.jmol.viewer;
+import javajs.awt.Font;
+import javajs.util.Lst;
+import javajs.util.PT;
+import javajs.util.SB;
+
import java.util.Arrays;
import java.util.Date;
import java.util.Hashtable;
import java.util.Map;
-import javajs.awt.Font;
-import javajs.util.Lst;
import javajs.util.P3;
-import javajs.util.PT;
-import javajs.util.SB;
import org.jmol.api.JmolDataManager;
import org.jmol.api.JmolModulationSet;
@@ -1784,8 +1785,15 @@
if (disableSend)
sm.setSyncDriver(StatusManager.SYNC_DISABLE);
if (script.indexOf("Mouse: ") != 0) {
- int jsvMode = JC.getJSVSyncSignal(script);
- switch (jsvMode) {
+ int serviceMode = JC.getServiceCommand(script);
+ switch (serviceMode) {
+ case JC.NBO_CONFIG:
+ case JC.NBO_MODEL:
+ case JC.NBO_RUN:
+ case JC.NBO_VIEW:
+ case JC.NBO_SEARCH:
+ sm.syncSend(script, ".", port);
+ return;
case JC.JSV_NOT:
break;
case JC.JSV_SEND_JDXMOL:
@@ -1797,7 +1805,7 @@
case JC.JSV_SETPEAKS:
case JC.JSV_SELECT:
// from JSpecView...
- if ((script = vwr.getJSV().processSync(script, jsvMode)) == null)
+ if ((script = vwr.getJSV().processSync(script, serviceMode)) == null)
return;
}
//System.out.println("Jmol executing script for JSpecView: " + script);
Modified: trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GuiMap.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GuiMap.java
2015-08-22 14:45:50 UTC (rev 20720)
+++ trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GuiMap.java
2015-08-22 15:39:01 UTC (rev 20721)
@@ -184,7 +184,12 @@
labels.put("definecenter", GT._("Define &Center"));
labels.put("tools", GT._("&Tools"));
labels.put("gauss", GT._("&Gaussian..."));
- labels.put("nbo", GT._("&NBO..."));
+ labels.put("nboMenu", "&NBO...");
+ labels.put("nboConfigScript", GT._("&Config"));
+ labels.put("nboModelScript", GT._("&Model"));
+ labels.put("nboRunScript", GT._("&Run"));
+ labels.put("nboViewScript", GT._("&View"));
+ labels.put("nboSearchScript", GT._("&Search"));
labels.put("viewMeasurementTable", GT._("&Measurements") + "...");
labels.put("distanceUnitsMenu", GT._("Distance &Units"));
labels.put("distanceNanometersScript", GT._("&Nanometers 1E-9"));
Modified: trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
2015-08-22 14:45:50 UTC (rev 20720)
+++ trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/JmolPanel.java
2015-08-22 15:39:01 UTC (rev 20721)
@@ -201,7 +201,7 @@
private static final String copyScriptActionProperty = "copyScript";
private static final String surfaceToolActionProperty = "surfaceTool";
private static final String pasteClipboardActionProperty = "pasteClipboard";
private static final String gaussianAction = "gauss";
- private static final String nboAction = "nbo";
+// private static final String nboAction = "nbo";
private static final String resizeAction = "resize";
//private static final String saveasAction = "saveas";
//private static final String vibAction = "vibrate";
@@ -951,6 +951,8 @@
String menuKey = ((JmolAbstractButton) e.getSource()).getKey();
if (menuKey.equals("display") || menuKey.equals("tools"))
setMenuState();
+ if (menuKey.equals("nboMenu"))
+ setMenuNBO((JMenu) e.getSource());
}
@Override
public void menuDeselected(MenuEvent e) {
@@ -1008,7 +1010,7 @@
new RecentFilesAction(), povrayAction, writeAction, toWebAction,
new ScriptWindowAction(), new ScriptEditorAction(),
new AtomSetChooserAction(), viewMeasurementTableAction,
- new GaussianAction(), new NBOAction(), new ResizeAction(),
surfaceToolAction }
+ new GaussianAction(), /*new NBOAction(),*/ new ResizeAction(),
surfaceToolAction }
;
class CloseAction extends AbstractAction {
@@ -1090,17 +1092,6 @@
}
}
- class NBOAction extends AbstractAction {
- public NBOAction() {
- super(nboAction);
- }
-
- @Override
- public void actionPerformed(ActionEvent e) {
- startNBO();
- }
- }
-
class NewwinAction extends AbstractAction {
NewwinAction() {
@@ -1120,12 +1111,34 @@
newFrame.setVisible(true);
}
- void startNBO() {
+ void setMenuNBO(JMenu item) {
+ Component[] nodes = item.getMenuComponents();
+ for (int i = nodes.length; --i >= 0;) {
+ String text = ((JMenuItem) nodes[i]).getText();
+ nodes[i].setEnabled(text.equals("Config"));
+ }
getNBOService();
+ if (!nboService.restartIfNecessary()) {
+ return;
+ }
if (nboDialog == null)
nboDialog = new NBODialog(frame, vwr, nboService);
+ // individual nodes here
+ nodes[1].setEnabled(true); // model
+ nodes[2].setEnabled(true);//vwr.ms.at.length > 0); // run
+ //boolean viewOK = "gennbo".equals(vwr.ms.getInfo(vwr.am.cmi, "fileType"));
+ nodes[3].setEnabled(true); // view
+ nodes[4].setEnabled(true); // search
+ }
+ void startNBO(String type) {
+ getNBOService();
+ if (nboDialog == null)
+ nboDialog = new NBODialog(frame, vwr, nboService);
else
nboDialog.setVisible(true);
+ if (type != null)
+ nboDialog.openPanel(type.charAt(0));
+
}
class UguideAction extends AbstractAction {
Modified:
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
===================================================================
---
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
2015-08-22 14:45:50 UTC (rev 20720)
+++
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
2015-08-22 15:39:01 UTC (rev 20721)
@@ -166,7 +166,7 @@
#
#tools=viewMeasurementTable animate vibrate graph chemicalShifts crystprop
tools=viewMeasurementTable distanceUnitsMenu animateMenu vibrateMenu
atomsetchooser \
- surfaceTool gauss nbo spectrumMenu
+ surfaceTool gauss nboMenu spectrumMenu
viewMeasurementTableImage=rulerButton.gif
distanceUnitsMenuImage=distanceUnitsButton.png
animateMenuImage=animateButton.png
@@ -177,6 +177,16 @@
#crystpropImage=crystalButton.gif
#
+# NBO Menu
+#
+nboMenu=nboConfigScript nboModelScript nboRunScript nboViewScript
nboSearchScript
+nboConfigScript=sync on; sync . "NBO:Config"
+nboModelScript=sync on; sync . "NBO:Model"
+nboRunScript=sync on; sync . "NBO:Run"
+nboViewScript=sync on; sync . "NBO:View"
+nboSearchScript=sync on; sync . "NBO:Search"
+
+#
# Spectrum Menu
#
Modified: trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
2015-08-22 14:45:50 UTC (rev 20720)
+++ trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/StatusListener.java
2015-08-22 15:39:01 UTC (rev 20721)
@@ -30,7 +30,6 @@
import org.jmol.api.JmolSyncInterface;
import org.jmol.c.CBK;
import org.jmol.dialog.Dialog;
-import javajs.awt.Dimension;
import javajs.util.PT;
import org.jmol.util.Logger;
@@ -146,13 +145,13 @@
menuName = "";
display.status.setStatus(1, menuName);
if (jmol.frame != null) {
- Font f = jmol.frame.getFont();
- if (f != null) {
- int m = jmol.frame.getFontMetrics(f).stringWidth("M");
- int n = jmol.frame.getWidth() / m;
+ //Font f = jmol.frame.getFont();
+ //if (f != null) {
+ //int m = jmol.frame.getFontMetrics(f).stringWidth("M");
+ //int n = jmol.frame.getWidth() / m;
//if (n < menuName.length())
//menuName = menuName.substring(0, n) + "...";
- }
+ //}
jmol.frame.setTitle(menuName);
}
// if (jSpecViewFrame != null)
@@ -222,6 +221,10 @@
.getPreference(data[2].toString()));
return;
}
+ if (strInfo != null && strInfo.toLowerCase().startsWith("nbo:")) {
+ jmol.startNBO(strInfo.substring(4).toLowerCase());
+ return;
+ }
jmol.sendNioMessage(((Integer) data[3]).intValue(), strInfo);
return;
case DRAGDROP:
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