/// <summary>Contrived example to test blossoming.</summary>
[TestMethod()] public void Blossom()
{
Graph g = Graph.FromSmiles("CCCCCC1CCCC1CC");
Matching m = Matching.CreateEmpty(g);
// initial matching from double-bonds (size = 5)
m.Match(1, 2);
m.Match(3, 4);
m.Match(5, 6);
m.Match(7, 8);
m.Match(9, 10);
MaximumMatching.Maximise(g, m, 10);
// once maximised the matching has been augmented such that there
// are now six disjoint edges (only possibly by contracting blossom)
Assert.AreEqual(6, m.GetMatches().Count());
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
Tuple.Of(0, 1),
Tuple.Of(2, 3),
Tuple.Of(4, 5),
Tuple.Of(6, 7),
Tuple.Of(8, 9),
Tuple.Of(10, 11),
},
m.GetMatches()));
}
[TestMethod()] public void Basic()
{
Matching matching = Matching.CreateEmpty(Graph.FromSmiles("CCCCC"));
matching.Match(0, 1);
matching.Match(2, 3);
Assert.AreEqual(2, matching.GetMatches().Count());
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(0, 1), Tuple.Of(2, 3) },
matching.GetMatches()));
}
public void Furan_2()
{
Graph g = Graph.FromSmiles("c1ccoc1");
Matching m = Matching.CreateEmpty(g);
ArbitraryMatching.Initial(g,
m,
AllOf(0, 1, 2, 4));
Assert.AreEqual(1, m.GetMatches().Count());
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(0, 1) },
m.GetMatches()));
}
public void Furan()
{
Graph g = Graph.FromSmiles("o1cccc1");
Matching m = Matching.CreateEmpty(g);
ArbitraryMatching.Initial(g, m,
AllOf(1, 2, 3, 4));
// note this matching is maximum
Assert.AreEqual(2, m.GetMatches().Count());
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(1, 2), Tuple.Of(3, 4) },
m.GetMatches()));
}
public void Adjusted()
{
Matching matching = Matching.CreateEmpty(Graph.FromSmiles("CCCCC"));
matching.Match(0, 1);
matching.Match(2, 3);
matching.Match(1, 2); // 0-1 and 2-3 should not be
Assert.IsFalse(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(0, 1), Tuple.Of(2, 3) },
matching.GetMatches()));
Assert.AreEqual(1, matching.GetMatches().Count());
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(1, 2) },
matching.GetMatches()));
}
public void Benzene()
{
Graph g = Graph.FromSmiles("c1ccccc1");
Matching m = Matching.CreateEmpty(g);
ArbitraryMatching.Initial(g,
m,
AllOf(0, 1, 2, 3, 4, 5));
Assert.AreEqual(3, m.GetMatches().Count());
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
Tuple.Of(0, 1),
Tuple.Of(2, 3),
Tuple.Of(4, 5),
},
m.GetMatches()));
}
public void Simple_maximal()
{
Graph g = Graph.FromSmiles("cccc");
Matching m = MaximumMatching.Maximal(g);
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(0, 1), Tuple.Of(2, 3) },
m.GetMatches()));
}
public void Furan()
{
Graph g = Graph.FromSmiles("o1cccc1");
IntSet s = IntSet.AllOf(1, 2, 3, 4); // exclude the oxygen
Matching m = Matching.CreateEmpty(g);
MaximumMatching.Maximise(g, m, 0, s);
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(1, 2), Tuple.Of(3, 4) },
m.GetMatches()));
}
[TestMethod()] public void Simple_augment()
{
Graph g = Graph.FromSmiles("cccc");
Matching m = Matching.CreateEmpty(g);
m.Match(1, 2);
MaximumMatching.Maximise(g, m, 2);
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(0, 1), Tuple.Of(2, 3) },
m.GetMatches()));
}
[TestMethod()] public void Simple_augment_subset()
{
Graph g = Graph.FromSmiles("cccc");
Matching m = Matching.CreateEmpty(g);
m.Match(1, 2);
// no vertex '3' matching can not be improved
MaximumMatching.Maximise(g, m, 2, IntSet.AllOf(0, 1, 2));
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(1, 2) },
m.GetMatches()));
}
[TestMethod()] public void Imidazole()
{
Graph g = Graph.FromSmiles("[nH]1ccnc1");
Matching m = Matching.CreateEmpty(g);
MaximumMatching.Maximise(g,
m,
0,
IntSet.AllOf(1, 2, 3, 4)); // not the 'nH'
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] { Tuple.Of(1, 2), Tuple.Of(3, 4) },
m.GetMatches()));
}
[TestMethod()] public void Quinone()
{
Graph g = Graph.FromSmiles("Oc1ccc(o)cc1");
Matching m = MaximumMatching.Maximal(g);
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
Tuple.Of(0, 1),
Tuple.Of(2, 3),
Tuple.Of(4, 5),
Tuple.Of(6, 7),
},
m.GetMatches()));
}
public void Quinone_subset()
{
Graph g = Graph.FromSmiles("Oc1ccc(o)cc1");
// mocks the case where the oxygen atoms are already double bonded - we
// therefore don't include those of the adjacent carbons in the vertex
// subset to be matched
Matching m = Matching.CreateEmpty(g);
MaximumMatching.Maximise(g, m, 0, IntSet.AllOf(2, 3, 6, 7));
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
Tuple.Of(2, 3),
Tuple.Of(6, 7),
},
m.GetMatches()));
}
[TestMethod()] public void Benzimidazole()
{
Graph g = Graph.FromSmiles("c1nc2ccccc2[nH]1");
Matching m = Matching.CreateEmpty(g);
MaximumMatching.Maximise(g,
m,
0,
IntSet.NoneOf(8)); // not the 'nH'
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
Tuple.Of(0, 1),
Tuple.Of(2, 3),
Tuple.Of(4, 5),
Tuple.Of(6, 7),
},
m.GetMatches()));
}
public void Napthalene_augment()
{
Graph g = Graph.FromSmiles("C1C=CC2=CCC=CC2=C1");
Matching m = Matching.CreateEmpty(g);
m.Match(1, 2);
m.Match(3, 4);
m.Match(6, 7);
m.Match(8, 9);
MaximumMatching.Maximise(g, m, 8);
Assert.IsTrue(Compares.AreOrderLessDeepEqual(
new[] {
Tuple.Of(0, 1),
Tuple.Of(2, 3),
Tuple.Of(4, 5),
Tuple.Of(6, 7),
Tuple.Of(8, 9),
},
m.GetMatches()));
}
[TestMethod()] public void IsEmptyTest()
{
Matching matching = Matching.CreateEmpty(Graph.FromSmiles("CCCCC"));
Assert.AreEqual(0, matching.GetMatches().Count());
}
