/// <summary>
/// Iterates over the rings in the ring set, and marks the ring
/// aromatic if all atoms and all bonds are aromatic.
/// </summary>
/// <remarks>
/// This method assumes that aromaticity perception has been done before hand.
/// </remarks>
/// <param name="ringset">The collection of rings</param>
public static void MarkAromaticRings(IRingSet ringset)
{
foreach (var atomContainer in ringset)
{
RingManipulator.MarkAromaticRings((IRing)atomContainer);
}
}
public void TestMarkAromaticRings()
{
IRing ring = new Ring(3, "C");
Assert.IsNotNull(ring);
RingManipulator.MarkAromaticRings(ring);
Assert.IsFalse(ring.IsAromatic);
foreach (var atom in ring.Atoms)
{
atom.IsAromatic = true;
}
RingManipulator.MarkAromaticRings(ring);
Assert.IsFalse(ring.IsAromatic);
foreach (var bond in ring.Bonds)
{
bond.IsAromatic = true;
}
RingManipulator.MarkAromaticRings(ring);
Assert.IsTrue(ring.IsAromatic);
}
