[Jmol-commits] CVS: Jmol/src/org/openscience/jmol/adapters CdkJmolModelAdapter.java,1.37,1.38 SimpleModelAdapter.java,1.38,1.39

[Michael T H. <mic...@us...>]

Update of /cvsroot/jmol/Jmol/src/org/openscience/jmol/adapters
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv16614/src/org/openscience/jmol/adapters

Modified Files:
	CdkJmolModelAdapter.java SimpleModelAdapter.java 
Log Message:
changed JmolModelAdapter to eliminate clientAtom


Index: CdkJmolModelAdapter.java
===================================================================
RCS file: /cvsroot/jmol/Jmol/src/org/openscience/jmol/adapters/CdkJmolModelAdapter.java,v
retrieving revision 1.37
retrieving revision 1.38
diff -u -r1.37 -r1.38
--- CdkJmolModelAdapter.java	22 Feb 2004 16:23:21 -0000	1.37
+++ CdkJmolModelAdapter.java	22 Feb 2004 22:44:59 -0000	1.38
@@ -206,17 +206,30 @@
   class AtomIterator extends JmolModelAdapter.AtomIterator {
     AtomContainer atomContainer;
     int atomCount, iatom;
+    Atom atom;
     AtomIterator(AtomContainer atomContainer) {
       this.atomContainer = atomContainer;
       atomCount = atomContainer.getAtomCount();
       iatom = 0;
     }
     public boolean hasNext() {
-      return iatom < atomCount;
-    }
-    public Object next() {
-      return atomContainer.getAtomAt(iatom++);
+      if (iatom >= atomCount)
+        return false;
+      atom = atomContainer.getAtomAt(iatom++);
+      return true;
+    }
+
+    public Object getUniqueID() { return atom; }
+    public int getAtomicNumber() { return atom.getAtomicNumber(); }
+    public String getAtomicSymbol() { return atom.getSymbol(); }
+    public float getX() { return (float)atom.getX3D(); }
+    public float getY() { return (float)atom.getY3D(); }
+    public float getZ() { return (float)atom.getZ3D(); }
+    public String getPdbAtomRecord() {
+      return (String)atom.getProperty("pdb.record");
     }
+    public int getPdbModelNumber() { return 0; }
+
   }
 
   class CovalentBondIterator extends JmolModelAdapter.BondIterator {

Index: SimpleModelAdapter.java
===================================================================
RCS file: /cvsroot/jmol/Jmol/src/org/openscience/jmol/adapters/SimpleModelAdapter.java,v
retrieving revision 1.38
retrieving revision 1.39
diff -u -r1.38 -r1.39
--- SimpleModelAdapter.java	22 Feb 2004 16:23:21 -0000	1.38
+++ SimpleModelAdapter.java	22 Feb 2004 22:44:59 -0000	1.39
@@ -179,17 +179,26 @@
   class AtomIterator extends JmolModelAdapter.AtomIterator {
     Model model;
     int iatom;
+    Atom atom;
 
     AtomIterator(Model model) {
       this.model = model;
       iatom = 0;
     }
     public boolean hasNext() {
-      return iatom < model.atomCount;
-    }
-    public Object next() {
-      return model.atoms[iatom++];
-    }
+      if (iatom >= model.atomCount)
+        return false;
+      atom = model.atoms[iatom++];
+      return true;
+    }
+    public Object getUniqueID() { return atom; }
+    public String getAtomicSymbol() { return atom.atomicSymbol; }
+    public int getAtomicCharge() { return atom.atomicCharge; }
+    public float getX() { return atom.x; }
+    public float getY() { return atom.y; }
+    public float getZ() { return atom.z; }
+    public String getPdbAtomRecord() { return atom.pdbAtomRecord; }
+    public int getPdbModelNumber() { return atom.pdbModelNumber; }
   }
 
   class BondIterator extends JmolModelAdapter.BondIterator {