[Jmol-commits] SF.net SVN: jmol:[14551] trunk/Jmol/src/org/jmol

[<ha...@us...>]

Revision: 14551
          http://jmol.svn.sourceforge.net/jmol/?rev=14551&view=rev
Author:   hansonr
Date:     2010-10-31 09:21:43 +0000 (Sun, 31 Oct 2010)

Log Message:
-----------
version=12.1.17_dev

# new feature: auxiliaryInfo.models[1].infoUnitCell
#    -- 17-element array
#    -- a, b, c, alpha, beta, gamma
#    -- Va, Vb, Vc
#    -- dimension = 1 (polymer), 2 (slab), 3 (standard)
#    -- volume (Angstrom^3)

Modified Paths:
--------------
    trunk/Jmol/src/org/jmol/util/SimpleUnitCell.java
    trunk/Jmol/src/org/jmol/viewer/Jmol.properties

Modified: trunk/Jmol/src/org/jmol/util/SimpleUnitCell.java
===================================================================
--- trunk/Jmol/src/org/jmol/util/SimpleUnitCell.java	2010-10-31 09:19:51 UTC (rev 14550)
+++ trunk/Jmol/src/org/jmol/util/SimpleUnitCell.java	2010-10-31 09:21:43 UTC (rev 14551)
@@ -206,11 +206,12 @@
 
   public final float[] getUnitCellAsArray() {
     Matrix4f m = matrixFractionalToCartesian;
-    return new float[] { dimension, (float) volume,
+    return new float[] { 
         a, b, c, alpha, beta, gamma, 
         m.m00, m.m10, m.m20, // Va
         m.m01, m.m11, m.m21, // Vb
         m.m02, m.m12, m.m22, // Vc
+        dimension, (float) volume,
         };
   }
 

Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties	2010-10-31 09:19:51 UTC (rev 14550)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties	2010-10-31 09:21:43 UTC (rev 14551)
@@ -3,19 +3,19 @@
 
 version=12.1.17_dev
 
+# new feature: auxiliaryInfo.models[1].infoUnitCell
+#    -- 17-element array
+#    -- a, b, c, alpha, beta, gamma
+#    -- Va, Vb, Vc
+#    -- dimension = 1 (polymer), 2 (slab), 3 (standard)
+#    -- volume (Angstrom^3)
+#
 # bug fix: set picking measure SEQUENCE not reporting to application console
 # bug fix: (application only) distance picking not being reported in console
 # bug fix: set picking chain, then mouse click does not report number of atoms selected
 #
 # new feature: reset STRUCTURE -- resets structure to author's after calculate STRUCTURE
 #
-# new feature: auxiliaryInfo.models[1].infoUnitCell
-#    -- 17-element array
-#    -- dimension = 1 (polymer), 2 (slab), 3 (standard)
-#    -- volume (Angstrom^3)
-#    -- a, b, c, alpha, beta, gamma
-#    -- Va, Vb, Vc
-#
 # new feature: load OFFSET {x y z} 
 #    --follows UNITCELL parameter, if present
 #    --offsets the atoms in the file by a given amount


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