public void TestIsValidSum_IMolecularFormula()
{
var formula = new MolecularFormula();
formula.Add(ifac.GetMajorIsotope("C"), 1);
formula.Add(ifac.GetMajorIsotope("H"), 100);
List <IRule> rules = new List <IRule>
{
new MMElementRule()
};
MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules);
Assert.AreEqual(0.0, MFChecker.IsValidSum(formula), 0.001);
}
public void TestIsValid_NOT()
{
var formula = new MolecularFormula();
formula.Add(ifac.GetMajorIsotope("C"), 1);
formula.Add(ifac.GetMajorIsotope("H"), 100);
List <IRule> rules = new List <IRule>
{
new MMElementRule()
};
MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules);
IMolecularFormula formulaWith = MFChecker.IsValid(formula);
Assert.AreEqual(0.0, formulaWith.GetProperty <double>((new MMElementRule()).GetType().ToString()));
}
public void TestGetRules()
{
MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(new List <IRule>());
Assert.IsNotNull(MFChecker.Rules);
}