Revision: 21639
http://sourceforge.net/p/jmol/code/21639
Author: hansonr
Date: 2017-06-22 16:44:35 +0000 (Thu, 22 Jun 2017)
Log Message:
-----------
Jmol.___JmolVersion="14.19.1"
bug fix: CENTERAT ABSOLUTE broken (since forever?)
bug fix: SPIN quaternion {0 0 -1 0} still does a positive, not negative,
rotation
(solution is to apply a miniscule rotation of 1e-10 degrees)
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/script/ScriptEval.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
trunk/Jmol/src/org/jmol/viewer/TransformManager.java
Modified: trunk/Jmol/src/org/jmol/script/ScriptEval.java
===================================================================
--- trunk/Jmol/src/org/jmol/script/ScriptEval.java 2017-06-21 16:01:30 UTC
(rev 21638)
+++ trunk/Jmol/src/org/jmol/script/ScriptEval.java 2017-06-22 16:44:35 UTC
(rev 21639)
@@ -5925,6 +5925,8 @@
if (q != null) {
if (tok == T.best && !(isMolecular = isSelected)) // yes, setting
isMolecular here.
q = q.div(vwr.tm.getRotationQ());
+ if (q.q0 == 0 && isSpin)
+ q.q0 = 1e-10f;
rotAxis.setT(q.getNormal());
endDegrees = q.getTheta();
}
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-06-21 16:01:30 UTC
(rev 21638)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-06-22 16:44:35 UTC
(rev 21639)
@@ -58,6 +58,10 @@
Jmol.___JmolVersion="14.19.1"
+bug fix: CENTERAT ABSOLUTE broken (since forever?)
+bug fix: SPIN quaternion {0 0 -1 0} still does a positive, not negative,
rotation
+ (solution is to apply a miniscule rotation of 1e-10 degrees)
+
bug fix: scirpt array context [3 -0] becomes [3], as in [3 - 0]
new feature: WRITE "SDF" implements atom value V nnn ... information
Modified: trunk/Jmol/src/org/jmol/viewer/TransformManager.java
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/TransformManager.java 2017-06-21
16:01:30 UTC (rev 21638)
+++ trunk/Jmol/src/org/jmol/viewer/TransformManager.java 2017-06-22
16:44:35 UTC (rev 21639)
@@ -2351,6 +2351,8 @@
public void setCenterAt(int relativeTo, P3 pt) {
P3 pt1 = P3.newP(pt);
switch (relativeTo) {
+ case T.absolute:
+ break;
case T.average:
pt1.add(vwr.ms.getAverageAtomPoint());
break;
@@ -2357,7 +2359,7 @@
case T.boundbox:
pt1.add(vwr.getBoundBoxCenter());
break;
- case T.absolute:
+ default:
pt1.setT(rotationCenterDefault);
break;
}
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