public void TestGetSize()
{
var fingerprinter = new SignatureFingerprinter();
Assert.IsNotNull(fingerprinter);
Assert.AreEqual(-1, fingerprinter.Length);
}
public override void TestGetCountFingerprint()
{
var fingerprinter = new SignatureFingerprinter(0);
var sp = CDK.SmilesParser;
var mol = sp.ParseSmiles("O(NC)CC");
ICountFingerprint bitFP = fingerprinter.GetCountFingerprint(mol);
Assert.IsNotNull(bitFP);
Assert.AreNotSame(0, bitFP.Length);
}
public override void TestGetRawFingerprint()
{
var fingerprinter = new SignatureFingerprinter(0);
var sp = CDK.SmilesParser;
var mol = sp.ParseSmiles("O(NC)CC");
var map = fingerprinter.GetRawFingerprint(mol);
Assert.AreEqual(3, map.Count);
var expectedPrints = new[] { "[O]", "[C]", "[N]" };
foreach (var print in expectedPrints)
{
Assert.IsTrue(map.ContainsKey(print));
}
}
