--- branches/new_design/OOPSE-2.0/src/brains/MoleculeCreator.cpp	2004/11/23 22:50:17	1773
+++ branches/new_design/OOPSE-2.0/src/brains/MoleculeCreator.cpp	2004/11/23 23:12:23	1774
@@ -257,32 +257,93 @@ Bend* MoleculeCreator::createBend(ForceField* ff, Mole
 }    
 
 Bend* MoleculeCreator::createBend(ForceField* ff, Molecule* mol, BendStamp* stamp) {
-    BendType* bendType;
-    Atom* atomA;
-    Atom* atomB;
-    Atom* atomC;
-
-    //need to consider the ghost bend
-    atomA = mol->getAtomAt(stamp->getA());
-    atomB = mol->getAtomAt(stamp->getB());
-    atomC = mol->getAtomAt(stamp->getC());
+    bool isGhostBend = false;
+    int ghostIndex;
 
-    assert( atomA && atomB && atomC);
     
-    bendType = ff->getBendType(atomA->getType(), atomB->getType(), atomC->getType());
+    //
+    if (stamp->haveExtras()){
+        LinkedAssign* extras = currentBend->getExtras();
+        LinkedAssign* currentExtra = extras;
 
-    if (bendType == NULL) {
-        sprintf(painCave.errMsg, "Can not find Matching Bend Type for[%s, %s, %s]",
-                   atomA->getType().c_str(),
-                   atomB->getType().c_str(),
-                   atomC->getType().c_str());
+        while (currentExtra != NULL){
+            if (!strcmp(currentExtra->getlhs(), "ghostVectorSource")){
+                switch (currentExtra->getType()){
+                case 0:
+                    ghostIndex = currentExtra->getInt();
+                    isGhostBend = true;
+                    break;
 
-        painCave.isFatal = 1;
-        simError();
+                default:
+                sprintf(painCave.errMsg,
+                "SimSetup Error: ghostVectorSource must be an int.\n");
+                painCave.isFatal = 1;
+                simError();
+                }
+            } else{
+                sprintf(painCave.errMsg,
+                "SimSetup Error: unhandled bend assignment:\n");
+                painCave.isFatal = 1;
+                simError();
+            }
+            currentExtra = currentExtra->getNext();
+        }
+        
     }
 
-    return new Bond(atomA, atomB, bendType);       
+    if (isGhostBend) {
 
+        int indexA = stamp->getA();
+        int indexB= stamp->getB();
+
+        assert(indexA != indexB);
+
+        int normalIndex;
+        if (indexA == ghostIndex) {
+            normalIndex = indexB;
+        } else if (indexB == ghostIndex) {
+            normalIndex = indexA;
+        }
+        
+        Atom* normalAtom = mol->getAtomAt(normalIndex) ;
+        Atom* ghostAtom = mol->getAtomAt(ghostIndex);
+        
+        BendType* bendType = ff->getBendType(normalAtom->getType(), ghostAtom->getType(), "GHOST");
+
+        if (bendType == NULL) {
+            sprintf(painCave.errMsg, "Can not find Matching Bend Type for[%s, %s, %s]",
+                       normalAtom->getType().c_str(),
+                       ghostAtom->getType().c_str(),
+                       "GHOST");
+
+            painCave.isFatal = 1;
+            simError();
+        }
+
+        return new GhostBend(normalAtom, ghostAtom, bendType);       
+
+    } else {
+            
+        Atom* atomA = mol->getAtomAt(stamp->getA());
+        Atom* atomB = mol->getAtomAt(stamp->getB());
+        Atom* atomC = mol->getAtomAt(stamp->getC());
+
+        assert( atomA && atomB && atomC);
+        
+        BendType* bendType = ff->getBendType(atomA->getType(), atomB->getType(), atomC->getType());
+
+        if (bendType == NULL) {
+            sprintf(painCave.errMsg, "Can not find Matching Bend Type for[%s, %s, %s]",
+                       atomA->getType().c_str(),
+                       atomB->getType().c_str(),
+                       atomC->getType().c_str());
+
+            painCave.isFatal = 1;
+            simError();
+        }
+
+        return new Bend(atomA, atomB, atomC, bendType);       
+    }
 }    
 
 Torsion* MoleculeCreator::createTorsion(ForceField* ff, Molecule* mol, TorsionStamp* stamp) {