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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