public void Next()
{
var state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
var it = new StateStream(state).GetEnumerator();
it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 0, 1, 2, 7, 8, 9 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 0, 9, 8, 7, 2, 1 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 1, 0, 9, 8, 7, 2 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 1, 2, 7, 8, 9, 0 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 2, 1, 0, 9, 8, 7 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 2, 3, 4, 5, 6, 7 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 2, 7, 6, 5, 4, 3 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 2, 7, 8, 9, 0, 1 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 3, 2, 7, 6, 5, 4 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 3, 4, 5, 6, 7, 2 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 4, 3, 2, 7, 6, 5 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 4, 5, 6, 7, 2, 3 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 5, 4, 3, 2, 7, 6 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 5, 6, 7, 2, 3, 4 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 6, 5, 4, 3, 2, 7 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 6, 7, 2, 3, 4, 5 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 7, 2, 1, 0, 9, 8 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 7, 2, 3, 4, 5, 6 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 7, 6, 5, 4, 3, 2 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 7, 8, 9, 0, 1, 2 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 8, 7, 2, 1, 0, 9 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 8, 9, 0, 1, 2, 7 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 9, 0, 1, 2, 7, 8 }, it.Current)); it.MoveNext();
Assert.IsTrue(Compares.AreDeepEqual(new int[] { 9, 8, 7, 2, 1, 0 }, it.Current)); it.MoveNext();
}
public void HasNext()
{
var state = CreateNaphthaleneToBenzene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
var it = new StateStream(state);
Assert.IsFalse(it.Any());
}
public void AnyMatch()
{
BondMatcher matcher = BondMatcher.CreateAnyMatcher();
IBond bond1 = new Mock <IBond>().Object;
IBond bond2 = new Mock <IBond>().Object;
IBond bond3 = new Mock <IBond>().Object;
Assert.IsTrue(matcher.Matches(bond1, bond2));
Assert.IsTrue(matcher.Matches(bond2, bond1));
Assert.IsTrue(matcher.Matches(bond1, bond3));
Assert.IsTrue(matcher.Matches(bond1, null));
Assert.IsTrue(matcher.Matches(null, null));
}
public void HasNext2()
{
var state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
int cnt = 0;
var it = new StateStream(state);
foreach (var i in it)
{
Assert.IsNotNull(i);
cnt++;
}
Assert.AreEqual(24, cnt);
}
public void Add()
{
UllmannState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
Assert.IsTrue(Compares.AreDeepEqual(
new int[][] {
new[] { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 },
new[] { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 },
new[] { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 },
new[] { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 },
new[] { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 },
new[] { 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 }
},
state.matrix.Fix()
));
Assert.IsTrue(state.Add(0, 0));
Assert.IsTrue(Compares.AreDeepEqual(
new int[][] {
new[] { 1, -1, -1, -1, -1, -1, -1, -1, -1, -1 },
new[] { -1, 1, -1, -1, -1, -1, -1, -1, -1, 1 },
new[] { 1, -1, 1, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, 1, -1, 1, -1, -1, -1, 1, -1, 1 },
new[] { 1, -1, 1, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, 1, -1, -1, -1, -1, -1, -1, -1, 1 }
},
state.matrix.Fix()));
Assert.IsTrue(state.Add(1, 9));
Assert.IsTrue(Compares.AreDeepEqual(
new int[][] {
new[] { 1, -1, -1, -1, -1, -1, -1, -1, -1, -1 },
new[] { -1, -2, -1, -1, -1, -1, -1, -1, -1, 1 },
new[] { 1, -1, -2, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, 1, -1, -2, -1, -1, -1, 1, -1, 1 },
new[] { 1, -1, 1, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, 1, -1, -1, -1, -1, -1, -1, -1, 1 }
},
state.matrix.Fix()));
Assert.IsTrue(state.Add(2, 8));
Assert.IsTrue(Compares.AreDeepEqual(
new int[][] {
new[] { 1, -1, -1, -1, -1, -1, -1, -1, -1, -1 },
new[] { -1, -2, -1, -1, -1, -1, -1, -1, -1, 1 },
new[] { -3, -1, -2, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, -3, -1, -2, -1, -1, -1, 1, -1, 1 },
new[] { 1, -1, 1, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, 1, -1, -1, -1, -1, -1, -1, -1, 1 }
},
state.matrix.Fix()));
Assert.IsTrue(state.Add(3, 7));
Assert.IsTrue(Compares.AreDeepEqual(
new int[][] {
new[] { 1, -1, -1, -1, -1, -1, -1, -1, -1, -1 },
new[] { -1, -2, -1, -1, -1, -1, -1, -1, -1, 1 },
new[] { -3, -1, -2, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, -3, -1, -2, -1, -1, -1, 1, -1, -4 },
new[] { -4, -1, 1, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, 1, -1, -1, -1, -1, -1, -1, -1, 1 }
},
state.matrix.Fix()));
Assert.IsTrue(state.Add(4, 2));
Assert.IsTrue(Compares.AreDeepEqual(
new int[][] {
new[] { 1, -1, -1, -1, -1, -1, -1, -1, -1, -1 },
new[] { -1, -2, -1, -1, -1, -1, -1, -1, -1, 1 },
new[] { -3, -1, -2, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, -3, -1, -2, -1, -1, -1, 1, -1, -4 },
new[] { -4, -1, 1, -1, -1, -1, -1, -1, -5, -1 },
new[] { -1, 1, -1, -1, -1, -1, -1, -1, -1, -5 }
},
state.matrix.Fix()));
Assert.IsTrue(state.Add(5, 1));
Assert.IsTrue(Compares.AreDeepEqual(
new int[][] {
new[] { 1, -1, -1, -1, -1, -1, -1, -1, -1, -1 },
new[] { -1, -2, -1, -1, -1, -1, -1, -1, -1, 1 },
new[] { -3, -1, -2, -1, -1, -1, -1, -1, 1, -1 },
new[] { -1, -3, -1, -2, -1, -1, -1, 1, -1, -4 },
new[] { -4, -1, 1, -1, -1, -1, -1, -1, -5, -1 },
new[] { -1, 1, -1, -1, -1, -1, -1, -1, -1, -5 }
},
state.matrix.Fix()));
}
public void TestNextM()
{
UllmannState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
Assert.AreEqual(state.NextM(0, -1), 0);
Assert.AreEqual(state.NextM(0, 0), 1);
Assert.AreEqual(state.NextM(0, 1), 2);
state.m2[1] = 0; // 1 has been mapped and should be skipped over
Assert.AreEqual(state.NextM(0, 0), 2);
}
public void TestNextN()
{
UllmannState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
Assert.AreEqual(state.NextN(0), 0);
state.size = 1;
Assert.AreEqual(state.NextN(0), 1);
state.size = 2;
Assert.AreEqual(state.NextN(0), 2);
}
public void Accessors()
{
UllmannState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
state.size = 1;
Assert.AreEqual(state.Count, 1);
Assert.AreEqual(state.NMax(), state.g1.Length);
Assert.AreEqual(state.MMax(), state.g2.Length);
}
public void Mapping()
{
UllmannState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
state.m1[0] = 1;
state.m1[1] = 2;
Assert.IsTrue(Compares.AreDeepEqual(state.m1, state.Mapping()));
Assert.AreNotSame(state.m1, state.Mapping());
}
public void InfeasibleRemainCount()
{
VFSubState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
Assert.IsTrue(state.Feasible(0, 0)); // 0,0 is feasible
// XXX: depends on molecule order not changing
state.m1[1] = 1;
state.m1[5] = 5;
state.t2[1] = 1;
state.t2[9] = 1;
Assert.IsFalse(state.Feasible(0, 0)); // 0,0 is infeasible
}
public void InfeasibleTerminalCount()
{
VFState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), BondMatcher.CreateAnyMatcher());
Assert.IsTrue(state.Feasible(4, 4)); // 4, 4 is feasible
state.Add(0, 0);
state.Add(1, 1);
state.Add(2, 2);
state.Add(3, 3);
Assert.IsFalse(state.Feasible(4, 4)); // 4, 4 is infeasible
}