public Element(int atomicNumber, double valence, double molarAbundance = 1, XrayLine line = XrayLine.Ka, double count = 0, double countTime = 1)
{
Z = atomicNumber;
AtomicName = AtomConstants.AtomicName(Z);
MolarAbundance = molarAbundance;
Valence = valence;
// Isotopes = AtomConstants.IsotopeAbundance[Z];
MolarWeight = AtomConstants.AtomicWeight(Z);
}
/// <summary>
/// 単原子分子のコンストラクタ
/// </summary>
/// <param name="z">原子番号</param>
/// <param name="valence">価数</param>
/// <param name="weightRatio">重量比</param>
public Molecule(int z, double valence = 0, double weightRatio = 0, double molarAbundance = 0)
{
if (z != 0)
{
Element e = new Element(z, 0);
Elements = new List <Element>();
Elements.Add(e);
e.MolarAbundance = 1;
MolarWeight = e.MolarWeight;
Valence = valence;
WeightRatio = weightRatio;
MolarAbundance = molarAbundance;
Formula = AtomConstants.AtomicName(z);
}
}
static Bonds()
{
var anionNum = new List <int> {
8, 9, 16, 17, 34, 35, 52, 53
};
Anions = anionNum.Select(n => $"{n}: {AtomConstants.AtomicName(n)}").ToList();
var cationNum = new List <int>();
cationNum.AddRange(Enumerable.Range(3, 5));
cationNum.AddRange(Enumerable.Range(11, 5));
cationNum.AddRange(Enumerable.Range(19, 15));
cationNum.AddRange(Enumerable.Range(37, 15));
cationNum.AddRange(Enumerable.Range(55, 20));
Cations = cationNum.Select(n => $"{n}: {AtomConstants.AtomicName(n)}").ToList();
}
/// <summary>
/// Vesta標準のボンドを生成. 入力形式は、原子番号の配列
/// </summary>
/// <param name="atomicNumbers"></param>
/// <returns></returns>
public static Bonds[] GetVestaBonds(IEnumerable <int> atomicNumbers) => GetVestaBonds(atomicNumbers.Select(n => $"{n}: {AtomConstants.AtomicName(n)}"));