[Cdk-commits] SF.net SVN: cdk:[13308] cdk/branches/jchempaint-primary/src/main/org/ openscience/cdk/controller/Controller2DHub.java

[<gil...@us...>]

Revision: 13308
          http://cdk.svn.sourceforge.net/cdk/?rev=13308&view=rev
Author:   gilleain
Date:     2008-11-26 15:49:15 +0000 (Wed, 26 Nov 2008)

Log Message:
-----------
Made nicer atom placement for when there is only one atom to sprout from.

Modified Paths:
--------------
    cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/controller/Controller2DHub.java

Modified: cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/controller/Controller2DHub.java
===================================================================
--- cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/controller/Controller2DHub.java	2008-11-26 15:34:10 UTC (rev 13307)
+++ cdk/branches/jchempaint-primary/src/main/org/openscience/cdk/controller/Controller2DHub.java	2008-11-26 15:49:15 UTC (rev 13308)
@@ -302,18 +302,30 @@
         atomPlacer.setMolecule(chemModel.getBuilder().newMolecule(atomCon));
         double bondLength = GeometryTools.getBondLengthAverage(atomCon);
         
-        // determine the atoms which define where the new atom should not be
-        // placed
+        // determine the atoms which define where the 
+        // new atom should not be placed
         List<IAtom> connectedAtoms = atomCon.getConnectedAtomsList(atom);
-        IAtomContainer placedAtoms = atomCon.getBuilder().newAtomContainer();
-        for (IAtom conAtom : connectedAtoms) placedAtoms.addAtom(conAtom);
-        Point2d center2D = GeometryTools.get2DCenter(placedAtoms);
-        
-        IAtomContainer unplacedAtoms = atomCon.getBuilder().newAtomContainer();
-        unplacedAtoms.addAtom(newAtom);
-        atomPlacer.distributePartners(atom, placedAtoms, center2D,
-                                      unplacedAtoms, bondLength);
 
+        if (connectedAtoms.size() == 1) {
+            IAtomContainer ac = atomCon.getBuilder().newAtomContainer();
+            ac.addAtom(atom);
+            ac.addAtom(newAtom);
+            Point2d distanceMeasure = new Point2d(0,0); // XXX not sure about this?
+            IAtom connectedAtom = connectedAtoms.get(0);
+            Vector2d v = atomPlacer.getNextBondVector(atom, connectedAtom, distanceMeasure, true);
+            atomPlacer.placeLinearChain(ac, v, bondLength);
+        } else {
+            IAtomContainer placedAtoms = atomCon.getBuilder().newAtomContainer();
+            for (IAtom conAtom : connectedAtoms) placedAtoms.addAtom(conAtom);
+            Point2d center2D = GeometryTools.get2DCenter(placedAtoms);
+            
+            IAtomContainer unplacedAtoms = atomCon.getBuilder().newAtomContainer();
+            unplacedAtoms.addAtom(newAtom);
+            
+            atomPlacer.distributePartners(
+                    atom, placedAtoms, center2D, unplacedAtoms, bondLength);
+        }
+
         atomCon.addAtom(newAtom);
         atomCon.addBond(newBond);
     }


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