public void Aromatic_carbon() { IAtom actual = FromSubsetAtoms .FromSubset(AtomImpl.AromaticSubset.Carbon, 2, 0); IAtom expect = new AtomImpl.BracketAtom(-1, Element.Carbon, 1, 0, 0, true); Assert.AreEqual(expect, actual); }
public void BracketAtom() { // should provide identity of bracket atom IAtom input = new AtomImpl.BracketAtom(Element.Carbon, 1, 0); IAtom output = FromSubsetAtoms.FromSubset(input, 0, 0); Assert.AreSame(output, input); }
public void Aliphatic_carbon() { IAtom actual = FromSubsetAtoms .FromSubset(AtomImpl.AliphaticSubset.Carbon, 3, 0); IAtom expect = new AtomImpl.BracketAtom(Element.Carbon, 1, 0); Assert.AreEqual(actual, expect); }
private void Transform(string input, string expected) { Graph g = Parser.Parse(input); ImplicitToExplicit ite = new ImplicitToExplicit(); FromSubsetAtoms fsa = new FromSubsetAtoms(); ExplicitToImplicit eti = new ExplicitToImplicit(); string actual = Generator.Generate(eti.Apply( fsa.Apply( ite.Apply(g)))); Assert.AreEqual(expected, actual); }