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; }