Esempio n. 1
0
        public void TestMatchAgainstItself()
        {
            var    m_bond1 = new Mock <ISingleElectron>(); ISingleElectron bond1 = m_bond1.Object;
            string result = SingleElectronDiff.Diff(bond1, bond1);

            AssertZeroLength(result);
        }
Esempio n. 2
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        /// <summary>
        /// Compare two <see cref="IChemObject"/> classes and return the difference as an <see cref="IDifference"/>.
        /// </summary>
        /// <param name="first">the first of the two classes to compare</param>
        /// <param name="second">the second of the two classes to compare</param>
        /// <returns>an <see cref="IDifference"/> representation of the difference between the first and second <see cref="IChemObject"/>.</returns>
        public static IDifference Difference(IChemObject first, IChemObject second)
        {
            if (!(first is IAtomContainer && second is IAtomContainer))
            {
                return(null);
            }
            var firstAC   = (IAtomContainer)first;
            var secondAC  = (IAtomContainer)second;
            var totalDiff = new ChemObjectDifference("AtomContainerDiff");

            totalDiff.AddChild(IntegerDifference.Construct("atomCount", firstAC.Atoms.Count, secondAC.Atoms.Count));
            if (firstAC.Atoms.Count == secondAC.Atoms.Count)
            {
                for (int i = 0; i < firstAC.Atoms.Count; i++)
                {
                    totalDiff.AddChild(AtomDiff.Difference(firstAC.Atoms[i], secondAC.Atoms[i]));
                }
            }
            totalDiff.AddChild(IntegerDifference.Construct("electronContainerCount", firstAC.GetElectronContainers().Count(),
                                                           secondAC.GetElectronContainers().Count()));
            if (firstAC.GetElectronContainers().Count() == secondAC.GetElectronContainers().Count())
            {
                for (int i = 0; i < firstAC.GetElectronContainers().Count(); i++)
                {
                    if (firstAC.GetElectronContainers().ElementAt(i) is IBond &&
                        secondAC.GetElectronContainers().ElementAt(i) is IBond)
                    {
                        totalDiff.AddChild(BondDiff.Difference(firstAC.GetElectronContainers().ElementAt(i),
                                                               secondAC.GetElectronContainers().ElementAt(i)));
                    }
                    else if (firstAC.GetElectronContainers().ElementAt(i) is ILonePair &&
                             secondAC.GetElectronContainers().ElementAt(i) is ILonePair)
                    {
                        totalDiff.AddChild(LonePairDiff.Difference(firstAC.GetElectronContainers().ElementAt(i),
                                                                   secondAC.GetElectronContainers().ElementAt(i)));
                    }
                    else if (firstAC.GetElectronContainers().ElementAt(i) is ISingleElectron &&
                             secondAC.GetElectronContainers().ElementAt(i) is ISingleElectron)
                    {
                        totalDiff.AddChild(SingleElectronDiff.Difference(firstAC.GetElectronContainers().ElementAt(i),
                                                                         secondAC.GetElectronContainers().ElementAt(i)));
                    }
                    else
                    {
                        totalDiff.AddChild(ElectronContainerDiff.Difference(firstAC.GetElectronContainers().ElementAt(i),
                                                                            secondAC.GetElectronContainers().ElementAt(i)));
                    }
                }
            }
            totalDiff.AddChild(ChemObjectDiff.Difference(first, second));
            if (totalDiff.ChildCount() > 0)
            {
                return(totalDiff);
            }
            else
            {
                return(null);
            }
        }
Esempio n. 3
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        public void TestDiff()
        {
            var m_carbon = new Mock <IAtom>(); IAtom carbon = m_carbon.Object;
            var m_oxygen = new Mock <IAtom>(); IAtom oxygen = m_oxygen.Object;

            m_carbon.SetupGet(n => n.Symbol).Returns("C");
            m_oxygen.SetupGet(n => n.Symbol).Returns("O");

            var m_bond1 = new Mock <ISingleElectron>(); ISingleElectron bond1 = m_bond1.Object;
            var m_bond2 = new Mock <ISingleElectron>(); ISingleElectron bond2 = m_bond2.Object;

            m_bond1.SetupGet(n => n.Atom).Returns(carbon);
            m_bond2.SetupGet(n => n.Atom).Returns(oxygen);

            string result = SingleElectronDiff.Diff(bond1, bond2);

            Assert.IsNotNull(result);
            Assert.AreNotSame(0, result.Length);
            AssertContains(result, "SingleElectronDiff");
            AssertContains(result, "AtomDiff");
            AssertContains(result, "C/O");
        }