public void TestGenerate_Simple()
{
var m_seedMock = new Mock <IAtomHashGenerator>(); var seedMock = m_seedMock.Object;
var m_container = new Mock <IAtomContainer>(); var container = m_container.Object;
SuppressedAtomHashGenerator generator = new SuppressedAtomHashGenerator(new Mock <IAtomHashGenerator>().Object,
new Xorshift(), AtomSuppression.Unsuppressed, 2);
// no suppression
{
// first iteration, values are distributed and then neighbours xor'd
// in. when two neighbours have the same value the second should be
// rotated
long[] first = new long[] { generator.Distribute(1) ^ 2L,
generator.Distribute(2L) ^ 1L ^ generator.Rotate(1L), generator.Distribute(1) ^ 2L };
long[] second = new long[] { generator.Distribute(first[0]) ^ first[1],
generator.Distribute(first[1]) ^ first[0] ^ generator.Rotate(first[2]),
generator.Distribute(first[2]) ^ first[1] };
Assert.IsTrue(Compares.AreDeepEqual(
second,
generator.Generate(new long[] { 1L, 2L, 1L }, StereoEncoder.Empty, new int[][] { new[] { 1 }, new[] { 0, 2 }, new[] { 1 } },
Suppressed.None)));
}
// vertex '2' supressed
BitArray suppressed = new BitArray(3);
suppressed.Set(2, true);
{
long[] first = new long[] { generator.Distribute(1) ^ 2L, generator.Distribute(2L) ^ 1L, // generator.Rotate(1L) not included is '[2]' is suppressed
0L, };
long[] second = new long[] { generator.Distribute(first[0]) ^ first[1], // generator.Rotate(first[2]) not included is '[2]' is suppressed
generator.Distribute(first[1]) ^ first[0], 0L };
Assert.IsTrue(Compares.AreDeepEqual(
second,
generator.Generate(new long[] { 1L, 2L, 1L }, StereoEncoder.Empty, new int[][] { new[] { 1 }, new[] { 0, 2 }, new[] { 1 } },
Suppressed.FromBitSet(suppressed))));
}
}
public void TestGenerate_Disconnected()
{
var m_seedMock = new Mock <IAtomHashGenerator>(); var seedMock = m_seedMock.Object;
var m_container = new Mock <IAtomContainer>(); var container = m_container.Object;
SuppressedAtomHashGenerator generator = new SuppressedAtomHashGenerator(new Mock <IAtomHashGenerator>().Object,
new Xorshift(), AtomSuppression.Unsuppressed, 2);
// there are no neighbours, the values should be rotated
long expected = generator.Distribute(generator.Distribute(1));
Assert.IsTrue(Compares.AreDeepEqual(
new long[] { expected, expected, expected },
generator.Generate(new long[] { 1L, 1L, 1L }, StereoEncoder.Empty, new int[][] { new int[] { }, new int[] { }, new int[] { } },
Suppressed.None)));
BitArray suppressed = new BitArray(3);
suppressed.Set(1, true);
Assert.IsTrue(Compares.AreDeepEqual(
new long[] { expected, 0L, expected },
generator.Generate(new long[] { 1L, 1L, 1L }, StereoEncoder.Empty, new int[][] { new int[] { }, new int[] { }, new int[] { } },
Suppressed.FromBitSet(suppressed))));
}
public void TestGenerate_ZeroDepth()
{
var m_seedMock = new Mock <IAtomHashGenerator>(); var seedMock = m_seedMock.Object;
var m_container = new Mock <IAtomContainer>(); var container = m_container.Object;
SuppressedAtomHashGenerator generator = new SuppressedAtomHashGenerator(new Mock <IAtomHashGenerator>().Object,
new Xorshift(), AtomSuppression.Unsuppressed, 0);
Assert.IsTrue(Compares.AreDeepEqual(
new long[] { 1L, 1L, 1L },
generator.Generate(new long[] { 1L, 1L, 1L }, StereoEncoder.Empty, new int[][] { new int[] { }, new int[] { }, new int[] { } },
Suppressed.None)));
BitArray suppressed = new BitArray(3);
suppressed.Set(0, true);
suppressed.Set(2, true);
Assert.IsTrue(Compares.AreDeepEqual(
new long[] { 0L, 1L, 0L },
generator.Generate(new long[] { 1L, 1L, 1L }, StereoEncoder.Empty, new int[][] { new int[] { }, new int[] { }, new int[] { } },
Suppressed.FromBitSet(suppressed))));
}
public void TestGenerate()
{
var m_seedMock = new Mock <IAtomHashGenerator>(); var seedMock = m_seedMock.Object;
var m_container = new Mock <IAtomContainer>(); var container = m_container.Object;
IAtomHashGenerator generator = new SuppressedAtomHashGenerator(seedMock, new Xorshift(),
AtomSuppression.Unsuppressed, 0);
m_seedMock.Setup(n => n.Generate(container)).Returns(new long[0]);
m_container.SetupGet(n => n.Bonds).Returns(new IBond[0]);
generator.Generate(container);
m_seedMock.Verify(n => n.Generate(container), Times.Exactly(1));
}