/// <summary> Returns the most abundant (major) isotope whose symbol equals element.
///
/// </summary>
/// <param name="symbol"> Description of the Parameter
/// </param>
/// <returns> The Major Isotope value
/// </returns>
public virtual IIsotope getMajorIsotope(System.String symbol)
{
IIsotope major = null;
if (majorIsotopes.ContainsValue(symbol))
{
major = (IIsotope)majorIsotopes[symbol];
}
else
{
for (int f = 0; f < isotopes.Count; f++)
{
IIsotope current = (IIsotope)isotopes[f];
if (current.Symbol.Equals(symbol))
{
try
{
if (major == null)
{
major = (IIsotope)current.Clone();
}
else
{
if (current.NaturalAbundance > major.NaturalAbundance)
{
major = (IIsotope)current.Clone();
}
}
}
//UPGRADE_NOTE: Exception 'java.lang.CloneNotSupportedException' was converted to 'System.Exception' which has different behavior. "ms-help://MS.VSCC.v80/dv_commoner/local/redirect.htm?index='!DefaultContextWindowIndex'&keyword='jlca1100'"
catch (System.Exception e)
{
//UPGRADE_TODO: The equivalent in .NET for method 'java.lang.Throwable.getMessage' may return a different value. "ms-help://MS.VSCC.v80/dv_commoner/local/redirect.htm?index='!DefaultContextWindowIndex'&keyword='jlca1043'"
//logger.error("Could not clone IIsotope: ", e.Message);
//logger.debug(e);
}
}
}
if (major == null)
{
//logger.error("Could not find major isotope for: ", symbol);
}
else
{
majorIsotopes[symbol] = major;
}
}
return(major);
}
private static IIsotope Clone(IIsotope isotope)
{
if (isotope == null)
{
return(null);
}
return((IIsotope)isotope.Clone());
}
public virtual void TestClone_ExactMass()
{
IIsotope iso = (IIsotope)NewChemObject();
iso.ExactMass = 1.0;
IIsotope clone = (IIsotope)iso.Clone();
// test cloning of exact mass
iso.ExactMass = 2.0;
Assert.AreEqual(1.0, clone.ExactMass.Value, 0.001);
}
public virtual void TestClone_MassNumber()
{
IIsotope iso = (IIsotope)NewChemObject();
iso.MassNumber = 12;
IIsotope clone = (IIsotope)iso.Clone();
// test cloning of exact mass
iso.MassNumber = 13;
Assert.AreEqual(12, clone.MassNumber.Value);
}
public virtual void TestClone_NaturalAbundance()
{
IIsotope iso = (IIsotope)NewChemObject();
iso.Abundance = 1.0;
IIsotope clone = (IIsotope)iso.Clone();
// test cloning of exact mass
iso.Abundance = 2.0;
Assert.AreEqual(1.0, clone.Abundance.Value, 0.001);
}
public override void TestClone()
{
IIsotope iso = (IIsotope)NewChemObject();
object clone = iso.Clone();
Assert.IsTrue(clone is IIsotope);
// test that everything has been cloned properly
string diff = IsotopeDiff.Diff(iso, (IIsotope)clone);
Assert.IsNotNull(diff);
Assert.AreEqual(0, diff.Length);
}
