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
}
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 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 AnyMatch()
{
AtomMatcher matcher = AtomMatcher.CreateAnyMatcher();
var m_atom1 = new Mock <IAtom>();
var m_atom2 = new Mock <IAtom>();
var m_atom3 = new Mock <IAtom>();
m_atom1.SetupGet(n => n.AtomicNumber).Returns(6);
m_atom2.SetupGet(n => n.AtomicNumber).Returns(7);
m_atom3.SetupGet(n => n.AtomicNumber).Returns(8);
Assert.IsTrue(matcher.Matches(m_atom1.Object, m_atom2.Object));
Assert.IsTrue(matcher.Matches(m_atom2.Object, m_atom1.Object));
Assert.IsTrue(matcher.Matches(m_atom1.Object, m_atom3.Object));
Assert.IsTrue(matcher.Matches(m_atom3.Object, m_atom1.Object));
Assert.IsTrue(matcher.Matches(m_atom2.Object, m_atom3.Object));
Assert.IsTrue(matcher.Matches(m_atom1.Object, null));
Assert.IsTrue(matcher.Matches(null, null));
}
public void InfeasibleBonds()
{
var m = new Mock <BondMatcher>(); BondMatcher mock = m.Object;
m.Setup(n => n.Matches(It.IsAny <IBond>(), It.IsAny <IBond>())).Returns(false);
VFSubState state = CreateBenzeneToNaphthalene(AtomMatcher.CreateAnyMatcher(), mock);
state.m1[0] = 0;
state.m1[1] = 1;
state.m1[2] = 2;
state.m1[3] = 3;
state.m1[4] = 4;
for (int i = 0; i < 4; i++)
{
for (int j = 0; j < 4; j++)
{
Assert.IsFalse(state.Feasible(i, j));
}
}
}
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()));
}
