Revision: 20068
http://sourceforge.net/p/jmol/code/20068
Author: hansonr
Date: 2014-10-13 22:59:38 +0000 (Mon, 13 Oct 2014)
Log Message:
-----------
Jmol.___JmolVersion="14.3.7_2014.10.13"
new feature: modulation occupancy settable using {*}.occupancy =
{*}.modulation('O',t)
-- for example:
load "t3.cif" {20 1 1} packed 0.5
connect {_Mn} {_Mn} delete
polyhedra bonds {_Mn} collapsed;
set echo top right;
capture "occ.gif" 120
for (var i = 0; i <= 100; i++) {
var f = i/100.
modulation @f
{*}.occupancy = {*}.modulation("O",f);
display _Mn and occupancy > 0;
var t = "t=" + f
echo @t
refresh;
}
capture
bug fix: msCIF reader superspace group operators with mixing of x1,x2,x3 into
x4,x5
was still not quite correct.
bug fix: data "occupancy set" spelled wrong in state
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/modelset/AtomCollection.java
trunk/Jmol/src/org/jmol/scriptext/CmdExt.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/jmol/modelset/AtomCollection.java
===================================================================
--- trunk/Jmol/src/org/jmol/modelset/AtomCollection.java 2014-10-13
22:48:50 UTC (rev 20067)
+++ trunk/Jmol/src/org/jmol/modelset/AtomCollection.java 2014-10-13
22:59:38 UTC (rev 20068)
@@ -170,7 +170,7 @@
bsClickable = new BS();
// this allows the Google Closure compiler to skip all the TAINTED defs in
Clazz.defineStatics
if (userSettableValues == null)
- userSettableValues = "atomName atomType coord element formalCharge
hydrophobicity ionic occupany partialCharge temperature valence vanderWaals
vibrationVector atomNo seqID".split(" ");
+ userSettableValues = "atomName atomType coord element formalCharge
hydrophobicity ionic occupancy partialCharge temperature valence vanderWaals
vibrationVector atomNo seqID".split(" ");
}
protected void releaseModelSet() {
Modified: trunk/Jmol/src/org/jmol/scriptext/CmdExt.java
===================================================================
--- trunk/Jmol/src/org/jmol/scriptext/CmdExt.java 2014-10-13 22:48:50 UTC
(rev 20067)
+++ trunk/Jmol/src/org/jmol/scriptext/CmdExt.java 2014-10-13 22:59:38 UTC
(rev 20068)
@@ -2655,6 +2655,8 @@
atomNumberFieldColumnCount, propertyField, propertyFieldColumnCount);
return;
}
+ if ("occupany".equals(dataType))
+ dataType = "occupancy"; // legacy misspelling in states
int userType = AtomCollection.getUserSettableType(dataType);
if (userType >= 0) {
// this is a known settable type or "property_xxxx"
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-10-13 22:48:50 UTC
(rev 20067)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-10-13 22:59:38 UTC
(rev 20068)
@@ -40,6 +40,8 @@
bug fix: msCIF reader superspace group operators with mixing of x1,x2,x3 into
x4,x5
was still not quite correct.
+bug fix: data "occupancy set" spelled wrong in state
+
JmolVersion="14.3.7_2014.10.12"
bug fix: JSmol/HTML5 SCRIPT command broken (forces async, which is not working
yet)
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