public void Method2()
{
ICountFingerprint fp1 = new IntArrayCountFingerprint(new Dictionary <string, int>()
{
{ "A", 3 }
});
ICountFingerprint fp2 = new IntArrayCountFingerprint(new Dictionary <string, int>()
{
{ "A", 4 }
});
Assert.AreEqual(0.75, Tanimoto.Method2(fp1, fp2), 0.001);
}
public void TestCountMethod1and2()
{
ICountFingerprint fp1 = new IntArrayCountFingerprint(new Dictionary <string, int>()
{
{ "A", 3 }
});
ICountFingerprint fp2 = new IntArrayCountFingerprint(new Dictionary <string, int>()
{
{ "A", 4 }
});
Assert.AreEqual(0.923, Tanimoto.Method1(fp1, fp2), 0.001);
Assert.AreEqual(0.75, Tanimoto.Method2(fp1, fp2), 0.001);
var mol1 = TestMoleculeFactory.MakeIndole();
var mol2 = TestMoleculeFactory.MakeIndole();
var fingerprinter = new SignatureFingerprinter();
fp1 = fingerprinter.GetCountFingerprint(mol1);
fp2 = fingerprinter.GetCountFingerprint(mol2);
Assert.AreEqual(1.0, Tanimoto.Method1(fp1, fp2), 0.001);
Assert.AreEqual(1.0, Tanimoto.Method2(fp1, fp2), 0.001);
}
