public virtual void TestNonclonable()
{
var isotope = new BODRIsotope("C", 6, 12, 12.0, 99.0);
IIsotope clone = (IIsotope)isotope.Clone();
Assert.AreEqual(isotope, clone);
}
private BODRIsotopeFactory()
{
string configFile = "NCDK.Config.Data.isotopes.dat";
var ins = ResourceLoader.GetAsStream(configFile);
var buffer = new byte[8];
ins.Read(buffer, 0, 4);
Array.Reverse(buffer, 0, 4);
int isotopeCount = BitConverter.ToInt32(buffer, 0);
for (int i = 0; i < isotopeCount; i++)
{
var atomicNum = ins.ReadByte();
ins.Read(buffer, 0, 2);
Array.Reverse(buffer, 0, 2);
var massNum = BitConverter.ToInt16(buffer, 0);
ins.Read(buffer, 0, 8);
Array.Reverse(buffer, 0, 8);
var exactMass = BitConverter.ToDouble(buffer, 0);
double natAbund;
if (ins.ReadByte() == 1)
{
ins.Read(buffer, 0, 8);
Array.Reverse(buffer, 0, 8);
natAbund = BitConverter.ToDouble(buffer, 0);
}
else
{
natAbund = 0;
}
var isotope = new BODRIsotope(PeriodicTable.GetSymbol(atomicNum), atomicNum, massNum, exactMass, natAbund);
Add(isotope);
}
}
public virtual void TestConstructor()
{
IIsotope isotope = new BODRIsotope("C", 6, 12, 12.0, 99.0);
Assert.AreEqual("C", isotope.Symbol);
Assert.AreEqual(6, isotope.AtomicNumber);
Assert.AreEqual(12, isotope.MassNumber.Value);
Assert.AreEqual(12.0, isotope.ExactMass.Value, 0.001);
Assert.AreEqual(99.0, isotope.Abundance.Value, 0.001);
}
public void TestImmutable()
{
IIsotope isotope = new BODRIsotope("C", 6, 12, 12.0, 99.0)
{
// try mutations
Symbol = "N",
AtomicNumber = 5,
MassNumber = 15,
ExactMass = 15.000,
Abundance = 0.364
};
// check if original
Assert.AreEqual(6, isotope.AtomicNumber);
Assert.AreEqual(12, isotope.MassNumber.Value);
Assert.AreEqual(12.0, isotope.ExactMass.Value, 0.001);
Assert.AreEqual(99.0, isotope.Abundance.Value, 0.001);
}
