public void RemoveZeroIsotopeFromFromula() { ChemicalFormula formulaA = new ChemicalFormula("C2H3NO"); ChemicalFormula formulaB = new ChemicalFormula("C2H3NO"); formulaA.Remove(PeriodicTable.GetIsotope("H", 1), 0); Assert.AreEqual(formulaA, formulaB); }
public void LoadUserDefineTableInternational() { string xml = @"<?xml version=""1.0"" encoding=""utf-8""?> <PeriodicTable> <Element Name=""Hydrogen"" Symbol=""H"" AtomicNumber=""1"" AverageMass=""1,0079407538957064"" ValenceElectrons=""1""> <Isotope Id=""0"" Mass=""5,00782503207"" MassNumber=""1"" Abundance=""0,999885"" /> <Isotope Id=""7"" Mass=""2,0141017778"" MassNumber=""2"" Abundance=""0,000115"" /> </Element> </PeriodicTable>"; string fileName = Path.Combine(Path.GetTempPath(), "testTableInt.xml"); File.WriteAllText(fileName, xml); PeriodicTable.Load(fileName); File.Delete(fileName); Assert.AreEqual(5.00782503207, PeriodicTable.GetIsotope("H", 1).AtomicMass, 0.0000001); }