[Jmol-commits] SF.net SVN: jmol:[18906] branches/v13_2/Jmol/src/org/jmol

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

Revision: 18906
          http://sourceforge.net/p/jmol/code/18906
Author:   hansonr
Date:     2013-11-05 04:11:10 +0000 (Tue, 05 Nov 2013)
Log Message:
-----------
___JmolVersion="13.2.9_dev_2013.11.04"

bug fix: {*}.symop.all not delivering symmetry operator appropriately

Modified Paths:
--------------
    branches/v13_2/Jmol/src/org/jmol/modelset/Atom.java
    branches/v13_2/Jmol/src/org/jmol/script/ScriptEvaluator.java
    branches/v13_2/Jmol/src/org/jmol/viewer/Jmol.properties

Modified: branches/v13_2/Jmol/src/org/jmol/modelset/Atom.java
===================================================================
--- branches/v13_2/Jmol/src/org/jmol/modelset/Atom.java	2013-11-05 04:05:51 UTC (rev 18905)
+++ branches/v13_2/Jmol/src/org/jmol/modelset/Atom.java	2013-11-05 04:11:10 UTC (rev 18906)
@@ -1231,6 +1231,8 @@
       return atom.getProteinStructureSubType().getId();
     case T.strucno:
       return atom.getStrucNo();
+    case T.symop:
+      return (atom.atomSymmetry == null ? 0 : atom.atomSymmetry.nextSetBit(0) + 1);
     case T.valence:
       return atom.getValence();
     }

Modified: branches/v13_2/Jmol/src/org/jmol/script/ScriptEvaluator.java
===================================================================
--- branches/v13_2/Jmol/src/org/jmol/script/ScriptEvaluator.java	2013-11-05 04:05:51 UTC (rev 18905)
+++ branches/v13_2/Jmol/src/org/jmol/script/ScriptEvaluator.java	2013-11-05 04:11:10 UTC (rev 18906)
@@ -1459,7 +1459,6 @@
     }
 
     int n = 0;
-    int ivvMinMax = 0;
     int ivMinMax = 0;
     float fvMinMax = 0;
     double sum = 0;
@@ -1478,7 +1477,6 @@
     int mode = (isPt ? 3 : isString ? 2 : isInt ? 1 : 0);
     if (isAtoms) {
       boolean haveBitSet = (bs != null);
-      int iModel = -1;
       int i0, i1;
       if (haveIndex) {
         i0 = index;
@@ -1549,45 +1547,6 @@
         case 1: // isInt
           int iv = 0;
           switch (tok) {
-          case T.symop:
-            // a little weird:
-            // First we determine how many operations we have in this model.
-            // Then we get the symmetry bitset, which shows the assignments
-            // of symmetry for this atom.
-            if (atom.getModelIndex() != iModel)
-              iModel = atom.getModelIndex();
-            BS bsSym = atom.getAtomSymmetry();
-            if (bsSym == null)
-              break;
-            int p = 0;
-            switch (minmaxtype) {
-            case T.min:
-              ivvMinMax = Integer.MAX_VALUE;
-              break;
-            case T.max:
-              ivvMinMax = Integer.MIN_VALUE;
-              break;
-            }
-            for (int k = bsSym.nextSetBit(0); k >= 0; k = bsSym
-                .nextSetBit(k + 1)) {
-              iv += k + 1;
-              switch (minmaxtype) {
-              case T.min:
-                ivvMinMax = Math.min(ivvMinMax, k + 1);
-                break;
-              case T.max:
-                ivvMinMax = Math.max(ivvMinMax, k + 1);
-                break;
-              }
-              p++;
-            }
-            switch (minmaxtype) {
-            case T.min:
-            case T.max:
-              iv = ivvMinMax;
-            }
-            n += p - 1;
-            break;
           case T.configuration:
           case T.cell:
             errorStr(ERROR_unrecognizedAtomProperty, T.nameOf(tok));

Modified: branches/v13_2/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v13_2/Jmol/src/org/jmol/viewer/Jmol.properties	2013-11-05 04:05:51 UTC (rev 18905)
+++ branches/v13_2/Jmol/src/org/jmol/viewer/Jmol.properties	2013-11-05 04:11:10 UTC (rev 18906)
@@ -9,8 +9,9 @@
 #  The quotes above look odd for a parameter file, but they are 
 #  important for the JavaScript version of Jmol.
 
-___JmolVersion="13.2.9_dev_2013.11.02"
+___JmolVersion="13.2.9_dev_2013.11.04"
 
+bug fix: {*}.symop.all not delivering symmetry operator appropriately
 bug fix for triple bond in SMILES in URLs
 
 JmolVersion="13.2.8"

This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.