public void CuneaneCubaneHeightTest()
{
IAtomContainer cuneane = AbstractSignatureTest.MakeCuneane();
IAtomContainer cubane = AbstractSignatureTest.MakeCubane();
int height = 1;
AtomSignature cuneaneSignature = new AtomSignature(0, height, cuneane);
AtomSignature cubaneSignature = new AtomSignature(0, height, cubane);
string cuneaneSigString = cuneaneSignature.ToCanonicalString();
string cubaneSigString = cubaneSignature.ToCanonicalString();
Assert.AreEqual(cuneaneSigString, cubaneSigString);
}
public void AllEqualAtHeightTest(IAtomContainer molecule, int height)
{
IDictionary <string, int> sigfreq = new Dictionary <string, int>();
for (int i = 0; i < molecule.Atoms.Count; i++)
{
AtomSignature atomSignature = new AtomSignature(i, height, molecule);
string canonicalSignature = atomSignature.ToCanonicalString();
if (sigfreq.ContainsKey(canonicalSignature))
{
sigfreq[canonicalSignature] = sigfreq[canonicalSignature] + 1;
}
else
{
sigfreq[canonicalSignature] = 1;
}
}
Assert.AreEqual(1, sigfreq.Keys.Count);
}
/// <inheritdoc/>
public override string SignatureStringForVertex(int vertexIndex, int height)
{
AtomSignature atomSignature = new AtomSignature(vertexIndex, height, this.molecule);
return(atomSignature.ToCanonicalString());
}
