diff --git a/gurobi.py b/gurobi.py
index ad88723..893f97b 100644
--- a/gurobi.py
+++ b/gurobi.py
@@ -1,113 +1,112 @@
 # -*- coding: utf-8 -*-
 """
 Spyder Editor
 
 This is a temporary script file.
 """
 
 import numpy as np 
 
 import gurobipy as gp
 from gurobipy import GRB
 
 # This function places the molecule M optimally within the target T such that 
 # the charges of  the molecule CM and the charges of the target CT are
 # compatible 
 
 def OptimalPlacement(M,CM,T,CT):
         
     try:
         
         #Dimemsion of the  Molecule and Target
         m = len(M)
         n = len(T)         
         
-        print("Sizes of Matrices to match: ", m, n, print("\n"))
+        print("-----------------------------------")
+        print("Sizes of Matrices to match: ", m, n)
+        print("-----------------------------------")
         
         # Create a new model
         Z = gp.Model("QP")
         
         #Create Variables         
         x = Z.addVars(m, n, name='X', vtype=GRB.BINARY)        
         Z.addConstrs(x.sum(i, '*') == 1 for i in range(m))
         Z.addConstrs(x.sum('*',j) <= 1 for j in range(n))
        
         # if the charges of atom i in molecule and atom j in target do not 
         # match, then we forbid the assignment i-> j 
         for i in range(m):
            for j in range(n):
                if(CM[i] != CT[j]):
                    Z.addConstr(x[i,j] == 0)
        
         # Set objective by building a long expression 
         expr = 2*x[1,1] * x[1,2]
         expr.clear()
 
         
         for i in range(m):
             for j in range(m):
                 for k in range(n):
                     for l in range(n):
                         expr.add(x[i,k] * x[j,l], (T[k,l]-M[i,j])**2) 
                         
                                 
         Z.setObjective(expr, GRB.MINIMIZE)
     
         # Optimize model
         print("\n----------------\n Optimisation... \n----------------\n")
         Z.optimize()
     
         print("\n------------------\n Best match... \n------------------\n")
         matched_target = []
         for v in Z.getVars():
             if v.x == 1:
                 i,j = v.varName.split("[")[-1].split("]")[0].split(",")
                 j = int(j)
                 matched_target.append(j)
         print("Indices of the target:")
         print(matched_target)
         
        # print("\n------------------\n Best match... \n------------------\n")
        # Z.printAttr('X')
        # print(Z.getObjective() )
 
         return matched_target
         
     
     except gp.GurobiError as e:
         print('Error code ' + str(e.errno) + ': ' + str(e))
     
     except AttributeError:
         print('Encountered an attribute error')
      
 #A shortcut to call the OptimalPlacement function         
-def Assignment(i,j):
-        OptimalPlacement(data['database_CMs'][i],data['database_ncharges'][i],data['target_CMs'][j],data['target_ncharges'][j])
+def Assignment(database_index, target_index):
+    target_CM = data['target_CMs'][target_index]
+    target_ncharges = data['target_ncharges'][target_index]
+    target_label = data['target_labels'][target_index]
+    assert len(target_CM) == len(target_ncharges)
+
+    database_CM = data['database_CMs'][database_index]
+    database_ncharges = data['database_ncharges'][database_index]
+    database_label = data['database_labels'][database_index]
+    assert len(database_CM) == len(database_ncharges)
+    
+    print("----------------------------------------")
+    print("Trying to place", database_label, "inside", target_label, "...")
+    print("----------------------------------------")
+    target_indices = OptimalPlacement(database_CM, database_ncharges, target_CM, target_ncharges)
+    return target_indices
 
 
 if __name__ == "__main__":
     data = np.load("data.npz", allow_pickle=True)
 
-    'target_ncharges' and 'database_ncharges' 
-    # temporarily commented out the line below
-    
-    Assignment(2,2)
-
-    #print("Molecule nuclear charges: \n", data['database_ncharges'][0], "\n")
-    #print("Target nuclear charges: \n", data['target_ncharges'][2], "\n")
-    # L = [2,8,7,1,4,9,10]
-
-    # T = data['target_CMs'][0][L][:,L]
-
-    # print("\n T = ", T)
-
-    # T = T - data['database_CMs'][2] 
-
-    # print ("\n Error: ", np.sum(T ** 2)) 
-
-    #print("\n Molecule:", data['database_CMs'][2])
-    #print("\n Target:",data['target_CMs'][0])
-
-
-
+    #'target_ncharges' and 'database_ncharges' 
+   
+    database_index = 2 
+    target_index = 0
+    Assignment(database_index, target_index)