public void TestAnd()
{
TestGetAndSet();
bitsetFP.And(CreateFP2());
Assert.IsFalse(bitsetFP[0]);
Assert.IsFalse(bitsetFP[1]);
Assert.IsFalse(bitsetFP[2]);
Assert.IsTrue(bitsetFP[3]);
}
/// <summary>
/// Evaluates Tanimoto coefficient for two <see cref="IBitFingerprint"/>.
/// </summary>
/// <param name="fingerprint1">fingerprint for the first molecule</param>
/// <param name="fingerprint2">fingerprint for the second molecule</param>
/// <returns>The Tanimoto coefficient</returns>
/// <exception cref="ArgumentException">if bitsets are not of the same length</exception>
public static double Calculate(IBitFingerprint fingerprint1, IBitFingerprint fingerprint2)
{
if (fingerprint1.Length != fingerprint2.Length)
{
throw new ArgumentException("Fingerprints must have the same size");
}
int cardinality1 = fingerprint1.Cardinality;
int cardinality2 = fingerprint2.Cardinality;
// If the fingerprint is an IntArrayFingeprint that could mean a big
// fingerprint so let's take the safe way out and create a
// new IntArrayfingerprint
IBitFingerprint one_and_two = fingerprint1 is IntArrayFingerprint ? (IBitFingerprint) new IntArrayFingerprint(
fingerprint1) : (IBitFingerprint) new BitSetFingerprint(fingerprint1);
one_and_two.And(fingerprint2);
double cardinalityCommon = one_and_two.Cardinality;
return(cardinalityCommon / (cardinality1 + cardinality2 - cardinalityCommon));
}