internal ChemElement(int z, string symbol, string name, double[] masses, double[] composition, double atomicWeight,
ChemElementType type, int[] mainValences = null, string casRegistryId = "", bool isotopicLabel = false, int maxNumDefault = 10)
{
Symbol = symbol;
this.masses = masses;
Z = z;
Name = name;
Type = type;
CasRegistryId = casRegistryId;
MonoIsotopicMass = masses[ArrayUtils.MaxInd(composition)];
this.composition = composition;
for (int i = 0; i < this.composition.Length; i++){
this.composition[i] *= 0.01;
}
AtomicWeight = atomicWeight;
IsIsotopicLabel = isotopicLabel;
MaxNumDefault = maxNumDefault;
MainValences = mainValences;
}
internal ChemElement(int z, string symbol, string name, double[] masses, double[] composition, double atomicWeight,
ChemElementType type, int[] mainValences = null, string casRegistryId = "", bool isotopicLabel = false, int maxNumDefault = 10)
{
Symbol = symbol;
this.masses = masses;
Z = z;
Name = name;
Type = type;
CasRegistryId = casRegistryId;
MonoIsotopicMass = masses[ArrayUtils.MaxInd(composition)];
this.composition = composition;
for (int i = 0; i < this.composition.Length; i++)
{
this.composition[i] *= 0.01;
}
AtomicWeight = atomicWeight;
IsIsotopicLabel = isotopicLabel;
MaxNumDefault = maxNumDefault;
MainValences = mainValences;
}
