Ejemplo n.º 1
0
 /// <summary>
 /// Verify that electrons can be assigned to any delocalised (aromatic)
 /// bonds. This method is faster than doing a full kekulisation and allows
 /// versification of aromatic structures without localising the bond Orders.
 /// However the method of determining the Kekulé structure is very similar
 /// and often is preferable to provide a molecule with defined bond Orders.
 /// </summary>
 /// <returns>electrons can be assigned</returns>
 /// <seealso cref="Kekule"/>
 public bool Assignable()
 {
     return(ElectronAssignment.Verify(this));
 }
Ejemplo n.º 2
0
 static void AssertUnassignable(string smi)
 {
     Assert.IsFalse(ElectronAssignment.Verify(Graph.FromSmiles(smi)));
 }