[Jmol-commits] CVS: Jmol/src/org/jmol/viewer ModelManager.java,1.25,1.26 Viewer.java,1.60,1.61

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

Update of /cvsroot/jmol/Jmol/src/org/jmol/viewer
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv19580/src/org/jmol/viewer

Modified Files:
	ModelManager.java Viewer.java 
Log Message:
adds getProperty("atomDetail") see http://www.stolaf.edu/people/hansonr/jmol/test/json/json.htm

Index: ModelManager.java
===================================================================
RCS file: /cvsroot/jmol/Jmol/src/org/jmol/viewer/ModelManager.java,v
retrieving revision 1.25
retrieving revision 1.26
diff -u -r1.25 -r1.26
--- ModelManager.java	10 Nov 2005 15:52:40 -0000	1.25
+++ ModelManager.java	6 Feb 2006 22:45:39 -0000	1.26
@@ -497,4 +497,37 @@
     Polymer polymer = frame.getPolymerAt(modelIndex, polymerIndex);
     return polymer.getLeadMidpoints();
   }
+
+  public String getJSONAtomInfoFromBitSet(BitSet bs) {
+    String strJSON = "";
+    String sep ="";
+    int atomCount = frame.atomCount;
+    for (int i = 0; i < atomCount; i++) {
+      if (bs.get(i)) {
+        strJSON = strJSON + sep + getAtomInfoJSON(i);
+        sep = ",";
+      }
+    }
+    strJSON = "[" + strJSON + "]";
+    return strJSON;
+  }
+
+  String getAtomInfoJSON(int i) {
+    String  strJSON = "{";
+    strJSON = strJSON + "\"ipt\":" + i;
+    strJSON = strJSON + ",\"number\":" + getAtomNumber(i);
+    strJSON = strJSON + ",\"sym\":\"" + getElementSymbol(i) + "\"";
+    strJSON = strJSON + ",\"atno\":" + getElementNumber(i);
+    strJSON = strJSON + ",\"x\":" + getAtomX(i);
+    strJSON = strJSON + ",\"y\":" + getAtomY(i);
+    strJSON = strJSON + ",\"z\":" + getAtomZ(i);
+    strJSON = strJSON + ",\"name\":\"" + getAtomName(i) + "\"";
+    strJSON = strJSON + ",\"model\":" + getAtomModelIndex(i);
+    strJSON = strJSON + ",\"info\":\"" + getAtomInfo(i) + "\"";
+//    strJSON = strJSON + ",\"chain\":\"" + getAtomChain(i) + "\"";
+//    strJSON = strJSON + ",\"seq\":\"" + getAtomSequenceCode(i) + "\"";
+    strJSON = strJSON + "}";
+    return strJSON;
+  }  
 }
+

Index: Viewer.java
===================================================================
RCS file: /cvsroot/jmol/Jmol/src/org/jmol/viewer/Viewer.java,v
retrieving revision 1.60
retrieving revision 1.61
diff -u -r1.60 -r1.61
--- Viewer.java	6 Feb 2006 20:43:50 -0000	1.60
+++ Viewer.java	6 Feb 2006 22:45:39 -0000	1.61
@@ -958,10 +958,17 @@
         str = str.substring(1,str.length()-1);
         return str;
       }
+    }    
+    if(infoType.equalsIgnoreCase("atomDetail")) {
+      if(paramInfo.length() > 0){
+        String str = getAtomBitSetDetail(paramInfo);
+        return str;
+      }
     }
     return "getProperty ERROR\n\nOptions include "
     + "\n getProperty(\"fileContents\",\"<pathname>\")"
-    + "\n getProperty(\"atomList\",\"<atom selection>\")";
+    + "\n getProperty(\"atomList\",\"<atom selection>\")"
+    + "\n getProperty(\"atomDetail\",\"<atom selection>\")";
   }
 
 
@@ -2573,6 +2580,11 @@
     return modelManager.getPolymerLeadMidPoints(modelIndex, polymerIndex);
   }
   
+  public String getAtomBitSetDetail(String atomExpression) {
+    BitSet bs = getAtomBitSet(atomExpression);
+    return modelManager.getJSONAtomInfoFromBitSet(bs);
+  }
+  
   ////////////////////////////////////////////////////////////////
   // stereo support
   ////////////////////////////////////////////////////////////////