public void TestGetCountMolecules()
{
var testSubject = MoleculeFactory.Propane();
var testResult = testSubject.GetCountMolecules(74.6D);
Console.WriteLine(string.Format("{0:n0}", testResult));
Assert.IsTrue(testResult > 1.018E+24);
Assert.IsTrue(testResult < 1.019E+24);
}
public void TestAddFormalCharges()
{
var testSubject = MoleculeFactory.Hydronium();
testSubject.SumFormalCharge();
var testResult = testSubject.Atoms.FirstOrDefault(a => a.Symbol == "O");
Assert.IsNotNull(testResult);
Assert.AreEqual(1, testResult.FormalCharge);
var pathToImg = testSubject.DepictMolecule();
Console.WriteLine(pathToImg);
}
public void TestGetMostElectronegativeAtom()
{
var testSubject = MoleculeFactory.Water();
var testResult = testSubject.GetMostElectronegativeAtom();
Assert.IsNotNull(testResult);
var testCtrl = testSubject.Atoms.FirstOrDefault(a => a.Symbol == "O");
Assert.IsNotNull(testCtrl);
Assert.AreEqual(testCtrl, testResult);
}