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);
}
