public void TestGetEuclideanDistance()
{
var sp = CDK.SmilesParser;
var target = sp.ParseSmiles("C\\C=C/Nc1cccc(c1)N(O)\\C=C\\C\\C=C\\C=C/C");
var queryac = sp.ParseSmiles("Nc1ccccc1");
var smsd1 = new Isomorphism(Algorithm.SubStructure, true);
smsd1.Init(queryac, target, true, true);
smsd1.SetChemFilters(true, true, true);
double score = 3.605;
Assert.AreEqual(score, smsd1.GetEuclideanDistance(), 0.005);
Isomorphism smsd2 = new Isomorphism(Algorithm.VFLibMCS, true);
smsd2.Init(queryac, target, true, true);
smsd2.SetChemFilters(true, true, true);
Assert.AreEqual(score, smsd2.GetEuclideanDistance(), 0.005);
}