Revision: 18589
http://sourceforge.net/p/jmol/code/18589
Author: hansonr
Date: 2013-08-17 17:46:37 +0000 (Sat, 17 Aug 2013)
Log Message:
-----------
___JmolVersion="13.3.4_dev_2013.08.17"
new feature: show ROTATION BEST
-- reports "{quaternion}"
new feature: quaternion("best")
-- delivers actual quaternion
new feature: show ROTATION VOLUME
-- calculates approximate best box (from 1495 quaternion-based alternatives)
-- reports "<volume> {dx dy dz}"
-- where <volume> is the volume,
-- and {dx dy dz} are the dimensions, where dx > dy > dz
new feature: rotate BEST
new feature: rotate SELECTED BEST
new feature: pop-up menu selection "view...best"
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/modelset/ModelCollection.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/jmol/modelset/ModelCollection.java
===================================================================
--- trunk/Jmol/src/org/jmol/modelset/ModelCollection.java 2013-08-17
17:13:40 UTC (rev 18588)
+++ trunk/Jmol/src/org/jmol/modelset/ModelCollection.java 2013-08-17
17:46:37 UTC (rev 18589)
@@ -3588,11 +3588,8 @@
dy = dz;
dz = f;
}
- v = q.getTheta();
- if (v == 180 || v == 0)
- return "{0 0 0 1}";
- V3 vec = V3.new3(dx, dy, dz);
- return q.toString() + (type == T.best ? "" : " " + vMin + " " +
Escape.eP(vec));
+ return (type == T.volume ? vMin + "\t{" + dx + " " + dy + " " + dz + "}"
+ : q.getTheta() == 0 ? "{0 0 0 1}" : q.toString());
}
}
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2013-08-17 17:13:40 UTC
(rev 18588)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2013-08-17 17:46:37 UTC
(rev 18589)
@@ -13,16 +13,23 @@
___JmolVersion="13.3.4_dev_2013.08.17"
-new feature: show ROTATION VOLUME
- -- calculates approximate best box (from 1495 quaternion-based alternatives)
- -- reports "{quaternion} volume {dx dy dz}" where dx > dy > dz
new feature: show ROTATION BEST
- -- just reports "{quaternion}"
+ -- reports "{quaternion}"
+
new feature: quaternion("best")
-- delivers actual quaternion
+
+new feature: show ROTATION VOLUME
+ -- calculates approximate best box (from 1495 quaternion-based alternatives)
+ -- reports "<volume> {dx dy dz}"
+ -- where <volume> is the volume,
+ -- and {dx dy dz} are the dimensions, where dx > dy > dz
+
new feature: rotate BEST
new feature: rotate SELECTED BEST
+new feature: pop-up menu selection "view...best"
+
bug fix: CIF reader does not find Hall name for space groups
new feature: set platformSpeed [0 to 10] (includes wireframeRotation along
with cartoons and surfaces)
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