Revision: 18605
http://sourceforge.net/p/jmol/code/18605
Author: hansonr
Date: 2013-08-20 17:19:24 +0000 (Tue, 20 Aug 2013)
Log Message:
-----------
more efficient coding of rotate BEST
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java
Modified: trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java
===================================================================
--- trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2013-08-20 14:41:52 UTC
(rev 18604)
+++ trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2013-08-20 17:19:24 UTC
(rev 18605)
@@ -6559,7 +6559,7 @@
q = (chk ? new Quaternion() : viewer.getAtomQuaternion(bsCenter
.nextSetBit(0)));
} else {
- q = getQuaternionParameter(i, null);
+ q = getQuaternionParameter(i);
}
i = iToken + 1;
if (q == null)
@@ -10101,8 +10101,10 @@
if (tok == T.quaternion)
i++;
haveRotation = true;
- q = getQuaternionParameter(i, isSelected || tok != T.best ? null :
viewer.getRotationQuaternion().mul(-1));
+ q = getQuaternionParameter(i);
if (q != null) {
+ if (tok == T.best && !(isMolecular = isSelected)) // yes, setting
isMolecular here.
+ q = q.mulQ(viewer.getRotationQuaternion().mul(-1));
rotAxis.setT(q.getNormal());
endDegrees = q.getTheta();
}
@@ -10336,26 +10338,20 @@
}
}
- private Quaternion getQuaternionParameter(int i, Quaternion q0)
+ private Quaternion getQuaternionParameter(int i)
throws ScriptException {
- Quaternion q;
switch (tokAt(i)) {
case T.varray:
JmolList<SV> sv = ((SV) getToken(i)).getList();
P4 p4 = null;
if (sv.size() == 0 || (p4 = SV.pt4Value(sv.get(0))) == null)
invArg();
- q = Quaternion.newP4(p4);
- break;
+ return Quaternion.newP4(p4);
case T.best:
- if (chk)
- return null;
- q = Quaternion.newP4((P4) Escape.uP(viewer.getOrientationText(T.best,
null)));
- break;
+ return (chk ? null : Quaternion.newP4((P4)
Escape.uP(viewer.getOrientationText(T.best, null))));
default:
- q = Quaternion.newP4(getPoint4f(i));
+ return Quaternion.newP4(getPoint4f(i));
}
- return (q0 == null ? q : q.mulQ(q0));
}
JmolList<P3> getPointVector(T t, int i) throws ScriptException {
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