public void ExplicitHydrogensIonsAreIncluded()
{
var m = Smi("[H+]");
var mask = Canon.TerminalHydrogens(m, GraphUtil.ToAdjList(m));
Assert.IsTrue(Compares.AreEqual(new bool[] { false }, mask));
}
public void MolecularHydrogensAreNotIncluded()
{
var m = Smi("[H][H]");
var mask = Canon.TerminalHydrogens(m, GraphUtil.ToAdjList(m));
Assert.IsTrue(Compares.AreEqual(new bool[] { true, true }, mask));
}
public void TerminalExplicitHydrogensAreNotIncluded()
{
var m = Smi("C/C=C(/C)C[H]");
var mask = Canon.TerminalHydrogens(m, GraphUtil.ToAdjList(m));
Assert.IsTrue(Compares.AreEqual(new bool[] { false, false, false, false, false, true }, mask));
}
