Revision: 20116
http://sourceforge.net/p/jmol/code/20116
Author: hansonr
Date: 2014-11-20 16:55:13 +0000 (Thu, 20 Nov 2014)
Log Message:
-----------
Jmol.___JmolVersion="14.3.9_2014.11.19"
bug fix: Euler ZYZ and ZXZ for quaternion({0 0 1},theta) where theta < 0 in
error
Modified Paths:
--------------
branches/v14_2/Jmol/src/javajs/util/Quat.java
branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
trunk/Jmol/src/javajs/util/Quat.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: branches/v14_2/Jmol/src/javajs/util/Quat.java
===================================================================
--- branches/v14_2/Jmol/src/javajs/util/Quat.java 2014-11-19 12:52:19 UTC
(rev 20115)
+++ branches/v14_2/Jmol/src/javajs/util/Quat.java 2014-11-20 16:55:13 UTC
(rev 20116)
@@ -794,8 +794,9 @@
// http://www.swarthmore.edu/NatSci/mzucker1/e27/diebel2006attitude.pdf
double rA, rB, rG;
if (q1 == 0 && q2 == 0) {
+ float theta = getTheta();
// pure Z rotation - ambiguous
- return new float[] { getTheta(), 0, 0 };
+ return new float[] { q3 < 0 ? -theta : theta , 0, 0 };
}
rA = Math.atan2(2 * (q2 * q3 + q0 * q1), 2 * (-q1 * q3 + q0 * q2 ));
rB = Math.acos(q3 * q3 - q2 * q2 - q1 * q1 + q0 * q0);
@@ -808,8 +809,9 @@
// http://www.swarthmore.edu/NatSci/mzucker1/e27/diebel2006attitude.pdf
double rA, rB, rG;
if (q1 == 0 && q2 == 0) {
+ float theta = getTheta();
// pure Z rotation - ambiguous
- return new float[] { getTheta(), 0, 0 };
+ return new float[] { q3 < 0 ? -theta : theta , 0, 0 };
}
rA = Math.atan2(2 * (q1 * q3 - q0 * q2), 2 * (q0 * q1 + q2 * q3 ));
rB = Math.acos(q3 * q3 - q2 * q2 - q1 * q1 + q0 * q0);
Modified: branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2014-11-19
12:52:19 UTC (rev 20115)
+++ branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2014-11-20
16:55:13 UTC (rev 20116)
@@ -5,8 +5,13 @@
# THIS IS THE RELEASE BRANCH
# BUG FIXES ONLY, PLEASE
-Jmol.___JmolVersion="14.2.9_2014.11.17"
+Jmol.___JmolVersion="14.2.9_2014.11.19"
+bug fix: Euler ZYZ and ZXZ for quaternion({0 0 1},theta) where theta < 0 in
error
+
+
+JmolVersion="14.2.9_2014.11.17"
+
released as Jmol 14.3.9 and Jmol 14.2.9
new feature: VASP CHGCAR reader
Modified: trunk/Jmol/src/javajs/util/Quat.java
===================================================================
--- trunk/Jmol/src/javajs/util/Quat.java 2014-11-19 12:52:19 UTC (rev
20115)
+++ trunk/Jmol/src/javajs/util/Quat.java 2014-11-20 16:55:13 UTC (rev
20116)
@@ -794,8 +794,9 @@
// http://www.swarthmore.edu/NatSci/mzucker1/e27/diebel2006attitude.pdf
double rA, rB, rG;
if (q1 == 0 && q2 == 0) {
+ float theta = getTheta();
// pure Z rotation - ambiguous
- return new float[] { getTheta(), 0, 0 };
+ return new float[] { q3 < 0 ? -theta : theta , 0, 0 };
}
rA = Math.atan2(2 * (q2 * q3 + q0 * q1), 2 * (-q1 * q3 + q0 * q2 ));
rB = Math.acos(q3 * q3 - q2 * q2 - q1 * q1 + q0 * q0);
@@ -808,8 +809,9 @@
// http://www.swarthmore.edu/NatSci/mzucker1/e27/diebel2006attitude.pdf
double rA, rB, rG;
if (q1 == 0 && q2 == 0) {
+ float theta = getTheta();
// pure Z rotation - ambiguous
- return new float[] { getTheta(), 0, 0 };
+ return new float[] { q3 < 0 ? -theta : theta , 0, 0 };
}
rA = Math.atan2(2 * (q1 * q3 - q0 * q2), 2 * (q0 * q1 + q2 * q3 ));
rB = Math.acos(q3 * q3 - q2 * q2 - q1 * q1 + q0 * q0);
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-11-19 12:52:19 UTC
(rev 20115)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-11-20 16:55:13 UTC
(rev 20116)
@@ -15,8 +15,13 @@
TODO: design and implement sidechain mutation -- MUTATE command ?
TODO: remove HTML5 dependency on synchronous file loading (check SCRIPT
command for problems)
-Jmol.___JmolVersion="14.3.9_2014.11.17"
+Jmol.___JmolVersion="14.3.9_2014.11.19"
+bug fix: Euler ZYZ and ZXZ for quaternion({0 0 1},theta) where theta < 0 in
error
+
+
+JmolVersion="14.3.9_2014.11.17"
+
released as Jmol 14.3.9 and Jmol 14.2.9
new feature: VASP CHGCAR reader
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