public void TestDefaultValidFalse()
{
IRule rule = new NitrogenRule();
IMolecularFormula formula = MolecularFormulaManipulator.GetMajorIsotopeMolecularFormula("C2H4", builder);
Assert.AreEqual(1.0, rule.Validate(formula), 0.0001);
}
public void TestC45H75NO15()
{
IRule rule = new NitrogenRule();
IMolecularFormula formula = MolecularFormulaManipulator.GetMajorIsotopeMolecularFormula("C45H75NO15", builder);
formula.Charge = 0;
Assert.AreEqual(1.0, rule.Validate(formula), 0.0001);
}
public void TestWithCo()
{
IRule rule = new NitrogenRule();
IMolecularFormula formula = MolecularFormulaManipulator.GetMolecularFormula("C43H50CoN4O16", builder);
formula.Charge = 0;
Assert.AreEqual(1.0, rule.Validate(formula), 0.0001);
}
public void TestWithFe()
{
IRule rule = new NitrogenRule();
IMolecularFormula formula = MolecularFormulaManipulator.GetMolecularFormula("C40H46FeN6O8S2", builder);
formula.Charge = 2;
Assert.AreEqual(1.0, rule.Validate(formula), 0.0001);
}
public void TestDoubleCharge()
{
IRule rule = new NitrogenRule();
IMolecularFormula formula = MolecularFormulaManipulator.GetMolecularFormula("C22H34N2S2", builder);
formula.Charge = 2;
Assert.AreEqual(1.0, rule.Validate(formula), 0.0001);
}
public void TestNominalMass()
{
IRule rule = new NitrogenRule();
IMolecularFormula formula = MolecularFormulaManipulator.GetMolecularFormula("C25H53NO7P", builder);
formula.Charge = 1;
Assert.AreEqual(1.0, rule.Validate(formula), 0.0001);
}
