public void TestElevation_Down()
{
var m_bond = new Mock <IBond>(); var bond = m_bond.Object;
m_bond.SetupGet(n => n.Stereo).Returns(BondStereo.Down);
Assert.AreEqual(-1, GeometricCumulativeDoubleBondFactory.Elevation(bond));
}
public void TestAxialEncoder_Empty()
{
var m_container = new Mock <IAtomContainer>(); var container = m_container.Object;
var m_start = new Mock <IAtom>(); var start = m_start.Object;
var m_end = new Mock <IAtom>(); var end = m_end.Object;
m_container.Setup(n => n.GetConnectedBonds(start)).Returns(new IBond[0]);
m_container.Setup(n => n.GetConnectedBonds(end)).Returns(new IBond[0]);
Assert.IsNull(GeometricCumulativeDoubleBondFactory.AxialEncoder(container, start, end));
}
public void TestElevation_Atom_Down()
{
var m_a1 = new Mock <IAtom>(); var a1 = m_a1.Object;
var m_a2 = new Mock <IAtom>(); var a2 = m_a2.Object;
var m_bond = new Mock <IBond>(); var bond = m_bond.Object;
m_bond.SetupGet(n => n.Stereo).Returns(BondStereo.Down);
m_bond.SetupGet(n => n.Begin).Returns(a1);
m_bond.SetupGet(n => n.End).Returns(a2);
Assert.AreEqual(-1, GeometricCumulativeDoubleBondFactory.Elevation(bond, a1));
Assert.AreEqual(+1, GeometricCumulativeDoubleBondFactory.Elevation(bond, a2));
}
public void TestCreate()
{
var m = new AtomContainer();
m.Atoms.Add(CarbonAt(-0.2994, 3.2084));
m.Atoms.Add(CarbonAt(-1.1244, 3.2084));
m.Atoms.Add(CarbonAt(-1.9494, 3.2084));
m.Atoms.Add(CarbonAt(-2.3619, 2.4939));
m.Atoms.Add(CarbonAt(0.1131, 3.9228));
m.Bonds.Add(new Bond(m.Atoms[0], m.Atoms[1], BondOrder.Double));
m.Bonds.Add(new Bond(m.Atoms[1], m.Atoms[2], BondOrder.Double));
m.Bonds.Add(new Bond(m.Atoms[2], m.Atoms[3]));
m.Bonds.Add(new Bond(m.Atoms[0], m.Atoms[4]));
IStereoEncoderFactory factory = new GeometricCumulativeDoubleBondFactory();
// graph not used
IStereoEncoder encoder = factory.Create(m, null);
Assert.IsInstanceOfType(encoder, typeof(MultiStereoEncoder));
}
public void TestElevation_null()
{
var m_bond = new Mock <IBond>(); var bond = m_bond.Object;
Assert.AreEqual(0, GeometricCumulativeDoubleBondFactory.Elevation(bond));
}
