public void GetCompoundExtraProperties_Successful() { // Arrange PubChemManager pc = new PubChemManager(); // Test Extra properties var extraProperties = new List <string> { "Complexity", "HeavyAtomCount" }; // Act var data = pc.GetCompoundProperties(3434, extraProperties); // Debug output Debug.WriteLine("--- Properties ---"); Debug.WriteLine(data.CID); Debug.WriteLine(data.MolecularFormula); Debug.WriteLine(data.MolecularWeight); Debug.WriteLine(data.CanonicalSMILES); // Extra properties Debug.WriteLine("--- Extra Properties ---"); Debug.WriteLine(data.XLogP); Debug.WriteLine(data.Complexity); Debug.WriteLine(data.HeavyAtomCount); // Assert Assert.IsFalse(string.IsNullOrEmpty(data.CID.ToString())); }
public void GetCompoundProperty_Successful() { // Arrange PubChemManager pc = new PubChemManager(); // Act var data = pc.GetCompoundProperties(3434); // Debug output Debug.WriteLine("--- Properties ---"); Debug.WriteLine(data.CID); Debug.WriteLine(data.MolecularFormula); Debug.WriteLine(data.MolecularWeight); Debug.WriteLine(data.CanonicalSMILES); Debug.WriteLine(data.IsomericSMILES); // Assert Assert.IsFalse(string.IsNullOrEmpty(data.CID.ToString())); }