[Jmol-commits] SF.net SVN: jmol:[21408] trunk/Jmol/src/org/gennbo

[<ha...@us...>]

Revision: 21408
          http://sourceforge.net/p/jmol/code/21408
Author:   hansonr
Date:     2017-02-07 20:40:13 +0000 (Tue, 07 Feb 2017)
Log Message:
-----------
minor model fixes -- TWIST

Modified Paths:
--------------
    trunk/Jmol/src/org/gennbo/NBOModel.java
    trunk/Jmol/src/org/gennbo/NBOSearch.java
    trunk/Jmol/src/org/gennbo/NBOService.java

Modified: trunk/Jmol/src/org/gennbo/NBOModel.java
===================================================================
--- trunk/Jmol/src/org/gennbo/NBOModel.java	2017-02-07 18:21:29 UTC (rev 21407)
+++ trunk/Jmol/src/org/gennbo/NBOModel.java	2017-02-07 20:40:13 UTC (rev 21408)
@@ -610,7 +610,7 @@
         }
       }
     }
-    if (actionID == MODEL_ACTION_ALTER) {
+    if (actionID == MODEL_ACTION_ALTER || actionID == MODEL_ACTION_TWIST && cnt == 4) {
       postActionToNBO_m(MODEL_ACTION_VALUE);
     }
     dialog.runScriptQueued(script);
@@ -926,9 +926,9 @@
     if (actionID == MODEL_ACTION_VALUE) {
       postNBO_m(sb, NBOService.MODE_MODEL_VALUE, "Checking Value", null, null);
     } else {
-      postNBO_m(sb,
-          (actionID == MODEL_ACTION_ALTER ? NBOService.MODE_MODEL_ALTER
-              : NBOService.MODE_MODEL_EDIT), "Editing model", null, null);
+      actionID = (actionID == MODEL_ACTION_ALTER  ? NBOService.MODE_MODEL_ALTER
+          : actionID == MODEL_ACTION_TWIST ? NBOService.MODE_MODEL_TWIST : NBOService.MODE_MODEL_EDIT);
+      postNBO_m(sb, actionID, "Editing model", null, null);
       resetOnAtomClick = true;
     } 
     
@@ -1281,6 +1281,7 @@
           + ";compare {*} @x rotate translate 0;script inline @z;set refreshing true");
       break;
     case NBOService.MODE_MODEL_NEW:
+    case NBOService.MODE_MODEL_TWIST:
     case NBOService.MODE_MODEL_EDIT:
       s += NBOConfig.JMOL_FONT_SCRIPT;
       if (mode == NBOService.MODE_MODEL_EDIT)
@@ -1288,6 +1289,7 @@
             + ";restore orientation o4;set refreshing on";
       else
         s = ";load " + s;
+      currVal.setText("");
       dialog.loadModelDataQueued(s);
       break;
     case NBOService.MODE_MODEL_SAVE:

Modified: trunk/Jmol/src/org/gennbo/NBOSearch.java
===================================================================
--- trunk/Jmol/src/org/gennbo/NBOSearch.java	2017-02-07 18:21:29 UTC (rev 21407)
+++ trunk/Jmol/src/org/gennbo/NBOSearch.java	2017-02-07 20:40:13 UTC (rev 21408)
@@ -1614,6 +1614,12 @@
     dialog.nboService.postToNBO(req);
   }
 
+  /**
+   * Do something in response to a reply that includes a * by an orbital's name,
+   * indicating that it is a maximum value -- perhaps display it? Briefly?
+   * 
+   * @param line
+   */
   protected void showMax(String line) {
     //BH not implemented?  
   }

Modified: trunk/Jmol/src/org/gennbo/NBOService.java
===================================================================
--- trunk/Jmol/src/org/gennbo/NBOService.java	2017-02-07 18:21:29 UTC (rev 21407)
+++ trunk/Jmol/src/org/gennbo/NBOService.java	2017-02-07 20:40:13 UTC (rev 21408)
@@ -70,8 +70,9 @@
   static final int MODE_MODEL_SAVE     = 41;
   static final int MODE_MODEL_SYMMETRY = 51;
   static final int MODE_MODEL_TO_NBO   = 61;
-  static final int MODE_MODEL_UNDO_REDO= 71;
-  static final int MODE_MODEL_VALUE    = 81;
+  static final int MODE_MODEL_TWIST    = 71;
+  static final int MODE_MODEL_UNDO_REDO= 81;
+  static final int MODE_MODEL_VALUE    = 91;
 
   static final int MODE_RUN_GENNBO     = 12;
 

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