[Jmol-commits] SF.net SVN: jmol:[10749] trunk/Jmol/src/org/jmol/adapter

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

Revision: 10749
          http://jmol.svn.sourceforge.net/jmol/?rev=10749&view=rev
Author:   hansonr
Date:     2009-03-29 19:32:04 +0000 (Sun, 29 Mar 2009)

Log Message:
-----------
version=11.7.31_dev # new feature: Spartan MO-Animation files can be read

Modified Paths:
--------------
    trunk/Jmol/src/org/jmol/adapter/readers/more/SpartanSmolReader.java
    trunk/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java
    trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java

Modified: trunk/Jmol/src/org/jmol/adapter/readers/more/SpartanSmolReader.java
===================================================================
--- trunk/Jmol/src/org/jmol/adapter/readers/more/SpartanSmolReader.java	2009-03-29 18:04:07 UTC (rev 10748)
+++ trunk/Jmol/src/org/jmol/adapter/readers/more/SpartanSmolReader.java	2009-03-29 19:32:04 UTC (rev 10749)
@@ -112,7 +112,7 @@
           atomSetCollection.newAtomSet();
           moData = new Hashtable();
           if (modelNo == Integer.MIN_VALUE) {
-            modelNo = 1;
+            modelNo = modelNumber;
             title = "Model " + line.substring(line.lastIndexOf(" ") + 1);
           } else  {
             title = (String) titles.get("Title" + modelNo);

Modified: trunk/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java
===================================================================
--- trunk/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java	2009-03-29 18:04:07 UTC (rev 10748)
+++ trunk/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java	2009-03-29 19:32:04 UTC (rev 10749)
@@ -99,6 +99,7 @@
 
   public boolean getHeader;
   public String filter;
+
   public BitSet bsFilter;
   public String spaceGroup;
   private SymmetryInterface symmetry;

Modified: trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java
===================================================================
--- trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java	2009-03-29 18:04:07 UTC (rev 10748)
+++ trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java	2009-03-29 19:32:04 UTC (rev 10749)
@@ -36,6 +36,7 @@
 import org.jmol.util.BitSetUtil;
 import org.jmol.util.Escape;
 import org.jmol.util.Logger;
+import org.jmol.util.TextFormat;
 import org.jmol.util.ZipUtil;
 
 
@@ -353,9 +354,6 @@
         || outputFileData.startsWith("FILE NOT FOUND")
         || outputFileData.indexOf("<html") >= 0)
       return new String[] { "M0001" };
-    int pt = outputFileData.indexOf("Start- Molecule");
-    if (pt > 0)
-      return new String[] { outputFileData.substring(pt).split("\"")[1] }; // M0001
     Vector v = new Vector();
     String token;
     String lasttoken = "";
@@ -385,6 +383,8 @@
          */
         if ((token = tokens.nextToken()).equals(")"))
           v.add(lasttoken);
+        else if (token.equals("Start-") && tokens.nextToken().equals("Molecule"))
+          v.add(TextFormat.split(tokens.nextToken(), '"')[1]);
         lasttoken = token;
       }
     } catch (Exception e) {


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