[Jmol-commits] SF.net SVN: jmol:[18329] branches/v13_0/Jmol/src/org/jmol

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

Revision: 18329
          http://sourceforge.net/p/jmol/code/18329
Author:   hansonr
Date:     2013-06-14 12:43:25 +0000 (Fri, 14 Jun 2013)
Log Message:
-----------
___version=13.0.17_dev_2013.06.14

bug fix: COMPARE could rotate to less-good fit with SMARTS search

Modified Paths:
--------------
    branches/v13_0/Jmol/src/org/jmol/script/ScriptEvaluator.java
    branches/v13_0/Jmol/src/org/jmol/viewer/Jmol.properties

Modified: branches/v13_0/Jmol/src/org/jmol/script/ScriptEvaluator.java
===================================================================
--- branches/v13_0/Jmol/src/org/jmol/script/ScriptEvaluator.java	2013-06-14 00:18:30 UTC (rev 18328)
+++ branches/v13_0/Jmol/src/org/jmol/script/ScriptEvaluator.java	2013-06-14 12:43:25 UTC (rev 18329)
@@ -7039,7 +7039,7 @@
 
   float getSmilesCorrelation(BitSet bsA, BitSet bsB, String smiles,
                              List<Point3f> ptsA, List<Point3f> ptsB,
-                             Matrix4f m, List<BitSet> vReturn, 
+                             Matrix4f m4, List<BitSet> vReturn, 
                              boolean isSmarts, boolean asMap)
       throws ScriptException {
     float tolerance = 0.1f; // TODO
@@ -7048,8 +7048,7 @@
         ptsA = new ArrayList<Point3f>();
         ptsB = new ArrayList<Point3f>();
       }
-      if (m == null)
-        m = new Matrix4f();
+      Matrix4f m = new Matrix4f();
 
       Atom[] atoms = viewer.getModelSet().atoms;
       int atomCount = viewer.getAtomCount();
@@ -7091,6 +7090,7 @@
         }
         if (stddev < lowestStdDev) {
           mapB = maps[i];
+          m4.set(m);
           lowestStdDev = stddev;
         }
       }

Modified: branches/v13_0/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v13_0/Jmol/src/org/jmol/viewer/Jmol.properties	2013-06-14 00:18:30 UTC (rev 18328)
+++ branches/v13_0/Jmol/src/org/jmol/viewer/Jmol.properties	2013-06-14 12:43:25 UTC (rev 18329)
@@ -9,8 +9,9 @@
 #  Don't use ___ in your text, as that is the key for stripping out
 #  the information saved in the JAR version of this file.
 
-___version=13.0.17_dev_2013.06.13
+___version=13.0.17_dev_2013.06.14
 
+bug fix: COMPARE could rotate to less-good fit with SMARTS search
 bug fix: draw ARROW ATOM/BOND broken
 bug fix: draw ARROW with offset disallows set picking draw adjustments
 bug fix: concurrrent loading of two cif files by two different applets fails 

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