public virtual void TestGetBondOrderSum()
{
IChemObject obj = NewChemObject();
IRing r = obj.Builder.NewRing(5, "C");
Assert.AreEqual(5, r.GetBondOrderSum());
BondManipulator.IncreaseBondOrder(r.Bonds[0]);
Assert.AreEqual(6, r.GetBondOrderSum());
BondManipulator.IncreaseBondOrder(r.Bonds[0]);
Assert.AreEqual(7, r.GetBondOrderSum());
BondManipulator.IncreaseBondOrder(r.Bonds[4]);
Assert.AreEqual(8, r.GetBondOrderSum());
}
/// <summary>
/// We define the heaviest ring as the one with the highest number of double bonds.
/// Needed for example for the placement of in-ring double bonds.
/// </summary>
/// <param name="ringSet">The collection of rings</param>
/// <param name="bond">A bond which must be contained by the heaviest ring</param>
/// <returns>The ring with the highest number of double bonds connected to a given bond</returns>
public static IRing GetHeaviestRing(IRingSet ringSet, IBond bond)
{
var rings = ringSet.GetRings(bond);
IRing ring = null;
int maxOrderSum = 0;
foreach (var ring1 in rings)
{
if (maxOrderSum < ((IRing)ring1).GetBondOrderSum())
{
ring = (IRing)ring1;
maxOrderSum = ring.GetBondOrderSum();
}
}
return(ring);
}