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()));
}
