// [TestMethod()] public void Cyclooctatetraene_3() {
// Apply("[C@H]1=[C@@H][C@H]=[C@H][C@@H]=[C@@H][C@H]=[C@@H]1",
// "C\\1=C/C=C\\C=C/C=C1");
// }
static void Transform(string smi, string exp)
{
ImplicitToExplicit ite = new ImplicitToExplicit();
FromTrigonalTopology ftt = new FromTrigonalTopology();
ExplicitToImplicit eti = new ExplicitToImplicit();
Assert.AreEqual(exp, Generator
.Generate(eti.Apply(ftt.Apply(ite.Apply(Parser.Parse(smi))))));
}
/// <summary>
/// Convert a graph with atom-based double-bond stereo configuration to
/// bond-based specification (direction Up and Down bonds).
/// </summary>
/// <param name="g">chemical graph graph</param>
/// <returns>a copy of the original graph but with bond-based
/// stereo-chemistry</returns>
public static Graph BondBasedDBStereo(Graph g)
{
return(eti.Apply(ftt.Apply(ite.Apply(g))));
}
