[Jmol-commits] SF.net SVN: jmol: [8392] trunk/Jmol/src/org/jmol/modelset/Atom.java

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

Revision: 8392
          http://jmol.svn.sourceforge.net/jmol/?rev=8392&view=rev
Author:   hansonr
Date:     2007-10-08 21:06:19 -0700 (Mon, 08 Oct 2007)

Log Message:
-----------
oops -- almost lost properties

Modified Paths:
--------------
    trunk/Jmol/src/org/jmol/modelset/Atom.java

Modified: trunk/Jmol/src/org/jmol/modelset/Atom.java
===================================================================
--- trunk/Jmol/src/org/jmol/modelset/Atom.java	2007-10-09 03:18:02 UTC (rev 8391)
+++ trunk/Jmol/src/org/jmol/modelset/Atom.java	2007-10-09 04:06:19 UTC (rev 8392)
@@ -116,8 +116,10 @@
     this.atomSite = atomSite;
     this.atomIndex = atomIndex;
     this.atomicAndIsotopeNumber = atomicAndIsotopeNumber;
+    setBFactor(modelSet, bfactor);
     setFormalCharge(formalCharge);
     setOccupancy(modelSet, occupancy);
+    setPartialCharge(modelSet, bfactor);
     if (Float.isNaN(vibrationX))
       setVibrationVector(modelSet, vibrationX, vibrationY, vibrationZ);
 
@@ -125,7 +127,7 @@
     this.alternateLocationID = (byte)alternateLocationID;
     this.radius = radius;
     setMadAtom(mad);
-    this.x = x; this.y = y; this.z = z;
+    set(x, y, z);
     if (isHetero)
       formalChargeAndFlags |= IS_HETERO_FLAG;
 


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