OTS/OTSIncAMeasureApp/0-OTSModel/OTSDataType/CElement.cs

using System;
using System.Collections.Generic;
using System.Linq;
using System.Text;
using System.Threading.Tasks;

namespace OTSDataType
{
    public static class GlobalMembersElement
    {
        public static readonly string[] ELEMENT_NAMES = { "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hq", "TI", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Mc", "No", "Lr" };

        public static readonly double[] ELEMENT_ATOMIC_WEIGHT_VALUES =
        {
          1.008,4.003,
          6.941,9.012,10.811,12.011,14.007,15.999,18.998,20.180,
          22.990,24.305,26.982,28.086,30.974,32.066,35.453,39.948,
          39.098,40.08,44.956,47.88,50.942,51.996,54.938,55.847,58.933,58.70,63.546,65.39,69.72,72.61,74.922,78.96,79.904,83.80,
          85.468,87.62,88.906,91.22,92.906,95.94,98.00,101.07,102.906,106.42,107.868,112.41,114.82,118.71,121.76,127.60,126.905,131.29,
          132.905,137.33,138.906,
          140.12,140.908,144.24,145.0,150.36,151.97,157.25,158.925,162.50,64.93,167.26,168.934,173.04,174.967,
          178.49,180.948,183.85,186.207,190.20,192.22,195.08,196.967,200.59,204.38,207.2,208.980,209.00,210.00,222.00,
          223.00,226.025,227.028,
        };

        public static readonly double[] ELEMENT_ENERGY_VALUES_K =
        {
          0.0,0.0,
          0.0,0.108,0.185,0.277,0.392,0.523,0.677,0.848,
          1.040,1.254,1.486,1.740,2.013,2.307,2.622,2.957,
          2.313,3.691,4.090,4.510,4.952,5.414,5.898,6.403,6.929,7.477,8.040,8.637,9.250,9.885,10.542,11.220,11.922,12.649,
          13.393,14.163,14.955,15.776,16.617,17.481,18.368,19.282,20.217,21.180,22.166,23.175,24.209,25.272,26.359,27.471,28.615,29.779,
          30.971,32.196,33.441,
          34.717,36.031,37.358,38.725,40.118,41.534,42.992,44.476,45.997,47.534,49.100,50.730,52.362,54.078,
          55.801,57.450,59.305,61.122,62.989,64.906,66.834,68.804,70.806,72.769,74.989,77.091,79.272,81.513,83.771,
          86.098,88.480,90.880,
          93.382,95.886,98.434,100.800,103.320,105.970,109.737,111.676,114.776,0.0,0.0,0.0,0.0,0.0
        };

        public static readonly double[] ELEMENT_ENERGY_VALUES_L =
        {
          0.0,0.0,
          0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
          0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
          0.0,0.341,0.395,0.452,0.511,0.573,0.637,0.705,0.776,0.851,0.930,1.012,1.098,1.188,1.282,1.379,1.480,1.586,
          1.694,1.806,1.922,2.042,2.166,2.293,2.424,2.558,2.696,2.838,2.984,3.133,3.286,3.443,3.604,3.768,3.937,4.109,
          4.286,4.465,4.650,
          4.839,5.033,5.229,5.432,5.636,5.845,6.056,6.272,6.494,6.719,6.947,7.179,7.414,7.654,
          7.898,8.145,8.396,8.651,8.910,9.174,9.441,9.712,9.987,10.256,10.550,10.837,11.129,11.425,11.725,
          12.029,12.338,12.650,
          12.967,13.288,13.612,13.941,14.275,14.615,14.961,15.309,15.661,16.018,0.0,0.0,0.0,0.0
        };

        public static readonly double[] ELEMENT_ENERGY_VALUES_M =
        {
          0.0,0.0,
          0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
          0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
          0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
          0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,
          0.0,0.779,0.833,
          0.883,0.929,0.978,1.032,1.081,1.137,1.185,1.240,1.293,1.347,1.405,1.462,1.521,1.581,
          1.644,1.709,1.774,1.842,1.910,1.978,2.048,2.120,2.191,2.268,2.342,2.419,2.505,2.585,2.665,
          2.747,2.830,2.915,
          2.991,3.077,3.165,3.253,3.344,3.435,3.539,3.634,3.731,3.829,0.0,0.0,0.0,0.0
        };
    }

    public class CElementChemistry
    {
        // name
        protected string m_strName;
        // percentage (element)
        public double m_dPercentage;

        public CElementChemistry()     // constructor
        {
            // initialization
            Init();
        }

        public CElementChemistry(string a_strName, double a_dPercentage)     // constructor
        {
            m_strName = a_strName;
            m_dPercentage = a_dPercentage;
        }

        // copy constructor
        public CElementChemistry(CElementChemistry a_oSource)
        {
            // can't copy itself
            if (a_oSource == this)
            {
                return;
            }

            // copy data over
            Duplicate(a_oSource);
        }

        //c#无指针
        //CElementChemistry(CElementChemistry*);								// copy constructor

        // ==operator
        //public static bool operator ==(CElementChemistry ImpliedObject, CElementChemistry a_oSource)
        //{
        //    // return test result
        //    return   String.Compare(ImpliedObject.m_strName,a_oSource.m_strName) == 0 && Math.Abs(ImpliedObject.m_dPercentage - a_oSource.m_dPercentage) < 0.00000000001;
        //}
        ////  ==和!= 重载必须成对出现
        //public static bool operator !=(CElementChemistry ImpliedObject, CElementChemistry a_oSource)
        //{
        //    // return test result
        //    return String.Compare(ImpliedObject.m_strName,a_oSource.m_strName) != 0 || Math.Abs(ImpliedObject.m_dPercentage - a_oSource.m_dPercentage) < 0.00000000001;
        //}

        public bool Equals(CElementChemistry a_oSource)
        {
            // return test result
            return String.Compare(m_strName, a_oSource.m_strName) == 0 && Math.Abs(m_dPercentage - a_oSource.m_dPercentage) < otsdataconst.MIN_DOUBLE_VALUE;
        }


        //无实际操作
        //virtual ~CElementChemistry();										// detractor

        // serialization
        //void Serialize(bool isStoring, tinyxml2::XMLDocument* classDoc, tinyxml2::XMLElement* rootNode);

        // name
        public string GetName()
        {
            return m_strName;
        }
        public void SetName(string a_strName)
        {
            m_strName = a_strName;
        }

        // percentage
        public double GetPercentage()
        {
            return m_dPercentage;
        }
        public void SetPercentage(double a_dPercentage)
        {
            m_dPercentage = a_dPercentage;
        }

        // MolarRatio
        public double GetMolarPercentage()
        {
            // molar percentage
            double dMolarPercentage = 0.0;

            // get atomic weight of the element
            double dAtomWeight = CElement.GetAtomWeight(m_strName);

            // make sure atomic weight is valid
            if (dAtomWeight > 0.0)
            {
                // calculate molar percentage
                dMolarPercentage = m_dPercentage / dAtomWeight;
            }
            return dMolarPercentage;
        }
        public void SetMolarPercentage(double a_dMolarPer)
        {
            // get atomic weight of the element
            double dAtomWeight = CElement.GetAtomWeight(m_strName);

            // set percentage
            m_dPercentage = a_dMolarPer * dAtomWeight / 100.0;
        }

        // cleanup
        protected void Cleanup()
        {
            // nothing needs to be done at the moment
        }

        // initialization
        protected void Init()
        {
            m_strName = "";
            m_dPercentage = 0.0;
        }

        // duplication
        protected void Duplicate(CElementChemistry a_oSource)
        {
            // initialization
            Init();

            // copy data over
            m_strName = a_oSource.m_strName;
            m_dPercentage = a_oSource.m_dPercentage;
        }
    }

    public class CElementArea
    {
        // element chemistry list
        protected List<CElementChemistry> m_listCElementChemistries = new List<CElementChemistry>();

        // area (element)
        protected double m_dArea;

        public CElementArea()
        {
            // initialization
            Init();
        }

        public CElementArea(CElementArea a_oSource)
        {
            // can't copy itself
            if (a_oSource == this)
            {
                return;
            }
            // copy data over
            Duplicate(a_oSource);
        }

        //CElementArea(CElementArea*);								// copy constructor

        //public CElementArea CopyFrom(CElementArea a_oSource)       //CElementArea& operator=(const CElementArea&);		// =operator
        //{
        //    // cleanup
        //    Cleanup();

        //    // copy the class data over
        //    Duplicate(a_oSource);

        //    // return class
        //    return this;
        //}

        public virtual void Dispose()   //virtual ~CElementArea();									// detractor
        {
            Cleanup();
        }

        //public static bool operator ==(CElementArea ImpliedObject, CElementArea a_oSource)
        //{
        //    // element chemistry list
        //    if ((int)ImpliedObject.m_listCElementChemistries.Count() != (int)a_oSource.m_listCElementChemistries.Count())
        //    {
        //        return false;
        //    }

        //    for (int i = 0; i < (int)ImpliedObject.m_listCElementChemistries.Count(); i++)
        //    {
        //        if (!(ImpliedObject.m_listCElementChemistries[i] == a_oSource.m_listCElementChemistries[i]))
        //        {
        //            return false;
        //        }
        //    }
        //    if (Math.Abs(ImpliedObject.m_dArea - a_oSource.m_dArea) >= 0.00000000001)
        //    {
        //        return false;
        //    }
        //    return true;
        //}

        //public static bool operator !=(CElementArea ImpliedObject, CElementArea a_oSource)
        //{
        //    // element chemistry list
        //    if ((int)ImpliedObject.m_listCElementChemistries.Count() != (int)a_oSource.m_listCElementChemistries.Count())
        //    {
        //        return true;
        //    }

        //    for (int i = 0; i < (int)ImpliedObject.m_listCElementChemistries.Count(); i++)
        //    {
        //        if (!(ImpliedObject.m_listCElementChemistries[i] == a_oSource.m_listCElementChemistries[i]))
        //        {
        //            return true;
        //        }
        //    }

        //    if(Math.Abs(ImpliedObject.m_dArea - a_oSource.m_dArea) >= 0.00000000001)
        //    {
        //        return true;
        //    }
        //    return false;
        //}

        public bool Equals(CElementArea a_oSource)
        {
            // element chemistry list
            if (m_listCElementChemistries.Count() != a_oSource.m_listCElementChemistries.Count())
            {
                return false;
            }

            for (int i = 0; i <m_listCElementChemistries.Count(); i++)
            {
                if (!(m_listCElementChemistries[i] == a_oSource.m_listCElementChemistries[i]))
                {
                    return false;
                }
            }
            if (Math.Abs(m_dArea - a_oSource.m_dArea) >= otsdataconst.MIN_DOUBLE_VALUE)
            {
                return false;
            }
            return true;
        }

        // element chemistry list
        public List<CElementChemistry> GetElementList()
        {
            return m_listCElementChemistries;
        }

        // element chemistry list
        public void SetElementList(List<CElementChemistry> a_listElementChemistries)
        {
            foreach (var pElementChemisty in a_listElementChemistries)
            {
                CElementChemistry pElementChemistyNew = new CElementChemistry(pElementChemisty);
                m_listCElementChemistries.Add(pElementChemistyNew);
            }
        }

        // area (element)
        public double GetArea()
        {
            return m_dArea;
        }
        public void SetArea(double a_dArea)
        {
            m_dArea = a_dArea;
        }

        // cleanup 
        protected void Cleanup()
        {
            m_listCElementChemistries.Clear();
        }

        // initialization
        protected void Init()
        {
            m_listCElementChemistries.Clear();
        }
        
        // duplication
        protected void Duplicate(CElementArea a_oSource)
        {
            // initialization
            Init();

            // copy data over
            m_dArea = a_oSource.m_dArea;
            SetElementList(a_oSource.m_listCElementChemistries);
        }
    }

    public class CElement
    {
        // atomic number
        protected long m_nAtomNum;

        // percentage
        protected double m_dPercentage;

        protected static List<string> m_theElementNameVector = new List<string>();

        //static const CString theElementNameList;
        protected readonly string theElementNameList = "H,He,Li,Be,B,C,N,O,F,Ne,Na,Mg,Al,Si,P,S,Cl,Ar,K,Ca,Sc,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Ga,Ge,As,Se,Br,Kr,Rb,Sr,Y,Zr,Nb,Mo,Tc,Ru,Rh,Pd,Ag,Cd,In,Sn,Sb,Te,I,Xe,Cs,Ba,La,Ce,Pr,Nd,Pm,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Hf,Ta,W,Re,Os,Ir,Pt,Au,Hg,Tl,Pb,Bi,Po,At,Rn,Fr,Ra,Ac,Th,Pa,U,Np,Pu,Am,Cm,Bk,Cf,Es,Fm,Md,No,Lr";

        // constructor
        public CElement()
        {
            // initialization
            Init();
        }
        public CElement(long a_nAtomNum)
        {
            // initialization
            Init();

            // assign class member
            if (a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MIN && a_nAtomNum <= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                m_nAtomNum = a_nAtomNum;
            }
        }
        public CElement(string a_strName)
        {
            // initialization
            Init();

            // try to find matched name
            //InitNamesList();
            for (int i = 0; i < otsdataconst.ATOMIC_NUMBER_MAX; ++i)
            {
                if (GlobalMembersElement.ELEMENT_NAMES[i].Equals(a_strName))
                {
                    // got it
                    m_nAtomNum = i + 1;
                    break;
                }
            }
        }
        // copy constructor
        public CElement(CElement a_poSource)
        {
            // input check
            //Debug.Assert(a_poSource);
            if (a_poSource == null)
            {
                return;
            }
            // copy data over
            Duplicate(a_poSource);
        }

        //public CElement CopyFrom(CElement a_oSource)      //ORIGINAL LINE: CElement& operator =(const CElement& a_oSource)
        //{
        //    // cleanup
        //    Cleanup();

        //    // copy the class data over
        //    Duplicate(a_oSource);

        //    // return class
        //    return this;
        //}


        public bool Equals(CElement a_oSource)          //BOOL operator==(const CElement&);				// ==operator
        {
            if (m_nAtomNum == a_oSource.m_nAtomNum && Math.Abs(m_dPercentage - a_oSource.m_dPercentage) < otsdataconst.MIN_DOUBLE_VALUE)
            {
                return true;
            }
            else
            {
                return false;
            }
        }

        // destructor
        //public virtual void Dispose()  //virtual ~CElement();							// detractor
        //{
        //    // cleanup
        //    Cleanup();
        //}

        // valid element
        public bool IsValid()
        {
            return IsValidAtomNum(m_nAtomNum);
        }

        // atomic number
        public int GetAtomNum()                              //int GetAtomNum() const { return m_nAtomNum; }
        {
            return (int)m_nAtomNum;
        }

        public void SetAtomNum(long a_nAtomNum)
        {
            m_nAtomNum = a_nAtomNum;
        }

        // percentage
        public double GetPercentage()      //double GetPercentage() const { return m_dPercentage; }
        {
            return m_dPercentage;
        }

        // percentage
        public void SetPercentage(double a_dPercentage)
        {
            if (a_dPercentage >= otsdataconst.PERCENTAGE_MIN && a_dPercentage <= otsdataconst.PERCENTAGE_MAX)
            {
                m_dPercentage = a_dPercentage;
            }
        }
        public double GetMolarPercentage()
        {
            double dMolarPercentage = otsdataconst.MIN_DOUBLE_VALUE;
            if (m_nAtomNum < 0 || m_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                double dAtomWeight = GetAtomWeight();
                dMolarPercentage = m_dPercentage / dAtomWeight;
            }
            return dMolarPercentage;
        }

        // name
        public string GetName()
        {
            string strName = "";
            if (m_nAtomNum < 0 || m_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return strName;
            }
            strName = GlobalMembersElement.ELEMENT_NAMES[m_nAtomNum - 1];
            return strName;
        }
        public static string GetName(long a_nAtomNum)
        {
            string strName = "";
            if (a_nAtomNum < 0 || a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return strName;
            }
            strName = GlobalMembersElement.ELEMENT_NAMES[a_nAtomNum - 1];
            return strName;
        }
        public static long GetAtomicNum(string a_strName)
        {
            long nNum = -1;
            for (int i = 0; i < otsdataconst.ATOMIC_NUMBER_MAX; i++)
            {
                if (a_strName==GlobalMembersElement.ELEMENT_NAMES[i])
                {
                    nNum = (i + 1);
                    break;
                }
            }

            return nNum;
        }

        // atomic weight
        public double GetAtomWeight()
        {
            double dAtomWeight = otsdataconst.ATOMIC_WEIGHT_INVALID;
            if (m_nAtomNum < 0 || m_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dAtomWeight;
            }
            dAtomWeight = GlobalMembersElement.ELEMENT_ATOMIC_WEIGHT_VALUES[m_nAtomNum - 1];
            return dAtomWeight;
        }
        public static double GetAtomWeight(int a_nAtomNum)
        {
            double dAtomWeight = otsdataconst.ATOMIC_WEIGHT_INVALID;
            if (a_nAtomNum < 0 || a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dAtomWeight;
            }
            dAtomWeight = GlobalMembersElement.ELEMENT_ATOMIC_WEIGHT_VALUES[a_nAtomNum - 1];
            return dAtomWeight;
        }
        public static double GetAtomWeight(string a_strName)
        {
            double dAtomWeight = otsdataconst.ATOMIC_WEIGHT_INVALID;
            for (int i = 0; i < otsdataconst.ATOMIC_NUMBER_MAX; i++)
            {
                if (a_strName==GlobalMembersElement.ELEMENT_NAMES[i])
                {
                    dAtomWeight = GlobalMembersElement.ELEMENT_ATOMIC_WEIGHT_VALUES[i];
                    break;
                }
            }
            return dAtomWeight;
        }

        // energy values
        public double GetEnergyValueK()
        {
            double dEnergyValueK = otsdataconst.ENERGY_VALUE_INVALID;
            if (m_nAtomNum < 0 || m_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dEnergyValueK;
            }
            dEnergyValueK = GlobalMembersElement.ELEMENT_ENERGY_VALUES_K[m_nAtomNum - 1];
            return dEnergyValueK;
        }
        public static double GetEnergyValueK(int a_nAtomNum)
        {
            double dEnergyValueK = otsdataconst.ENERGY_VALUE_INVALID;
            if (a_nAtomNum < 0 || a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dEnergyValueK;
            }
            dEnergyValueK = GlobalMembersElement.ELEMENT_ENERGY_VALUES_K[a_nAtomNum - 1];
            return dEnergyValueK;
        }
        public double GetEnergyValueL()
        {
            double dEnergyValueL = otsdataconst.ENERGY_VALUE_INVALID;
            if (m_nAtomNum < 0 || m_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dEnergyValueL;
            }
            dEnergyValueL = GlobalMembersElement.ELEMENT_ENERGY_VALUES_L[m_nAtomNum - 1];
            return dEnergyValueL;
        }
        public static double GetEnergyValueL(int a_nAtomNum)
        {
            double dEnergyValueL = otsdataconst.ENERGY_VALUE_INVALID;
            if (a_nAtomNum < 0 || a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dEnergyValueL;
            }
            dEnergyValueL = GlobalMembersElement.ELEMENT_ENERGY_VALUES_L[a_nAtomNum - 1];
            return dEnergyValueL;
        }
        public double GetEnergyValueM()
        {
            double dEnergyValueM = otsdataconst.ENERGY_VALUE_INVALID;
            if (m_nAtomNum < 0 || m_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dEnergyValueM;
            }
            dEnergyValueM = GlobalMembersElement.ELEMENT_ENERGY_VALUES_M[m_nAtomNum - 1];
            return dEnergyValueM;
        }
        public static double GetEnergyValueM(int a_nAtomNum)
        {
            double dEnergyValueM = otsdataconst.ENERGY_VALUE_INVALID;
            if (a_nAtomNum < 0 || a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return dEnergyValueM;
            }
            dEnergyValueM = GlobalMembersElement.ELEMENT_ENERGY_VALUES_M[a_nAtomNum - 1];
            return dEnergyValueM;
        }
        public List<double> GetEnergyValues()
        {
            List<double> vEnergyValues = new List<double>();
            if (m_nAtomNum < 0 || m_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return vEnergyValues;
            }
            double dEnergyValue = GlobalMembersElement.ELEMENT_ENERGY_VALUES_K[m_nAtomNum - 1];
            vEnergyValues.Add(dEnergyValue);
            dEnergyValue = GlobalMembersElement.ELEMENT_ENERGY_VALUES_L[m_nAtomNum - 1];
            vEnergyValues.Add(dEnergyValue);
            dEnergyValue = GlobalMembersElement.ELEMENT_ENERGY_VALUES_M[m_nAtomNum - 1];
            vEnergyValues.Add(dEnergyValue);
            return vEnergyValues;
        }
        public static List<double> GetEnergyValues(int a_nAtomNum)
        {
            List<double> vEnergyValues = new List<double>();
            if (a_nAtomNum < 0 || a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MAX)
            {
                return vEnergyValues;
            }
            double dEnergyValue = GlobalMembersElement.ELEMENT_ENERGY_VALUES_K[a_nAtomNum - 1];
            vEnergyValues.Add(dEnergyValue);
            dEnergyValue = GlobalMembersElement.ELEMENT_ENERGY_VALUES_L[a_nAtomNum - 1];
            vEnergyValues.Add(dEnergyValue);
            dEnergyValue = GlobalMembersElement.ELEMENT_ENERGY_VALUES_M[a_nAtomNum - 1];
            vEnergyValues.Add(dEnergyValue);
            return vEnergyValues;
        }

        // atomic number validation
        public static bool IsValidAtomNum(long a_nAtomNum)
        {
            return a_nAtomNum >= otsdataconst.ATOMIC_NUMBER_MIN && a_nAtomNum <= otsdataconst.ATOMIC_NUMBER_MAX;
        }

        public List<string> GetElementNameList()
        {
            if (m_theElementNameVector.Count == 0)
            {
                int tokenPos = 0;

                var strToken = theElementNameList.Split(',')[tokenPos];        //auto strToken = theElementNameList.Tokenize(",", tokenPos);

                while (strToken!=null)
                {
                    m_theElementNameVector.Add(strToken);
                    strToken = theElementNameList.Split(',')[tokenPos];          //strToken = theElementNameList.Tokenize(_T(","), tokenPos);
                }
            }

            return m_theElementNameVector;
        }
        public List<CElementChemistry> ExtractElementChemistrys(string a_strSource)
        {

            List<CElementChemistry> listElementChemistrys = new List<CElementChemistry>();

            List<string> vElementNames = GetElementNameList();

            // separate the source strings into strings
            string strSeperator = "\n";
            List<string> vLineStrings = SplitString(a_strSource, strSeperator);

            // strings to elements
            const int ELEMENT_STRING_NUMBER = 3;
            const int EXTRA_CHAR_NUMBER = 6;
            //int count = 1;
            foreach (var str in vLineStrings)
            {
                str.Trim('\n');
                if (str.Length<= EXTRA_CHAR_NUMBER)
                {
                    continue;
                }

                strSeperator = ",";
                List<string> vStrings = SplitString(str, strSeperator);

                if (vStrings.Count == ELEMENT_STRING_NUMBER)
                {
                    // create an element chemistry data
                    CElementChemistry oElementChemistry = new CElementChemistry();

                    // name (extra char "Quant=")
                    string strTemp = vStrings[0];
                    int nNameStringLength = strTemp.Length;

                    // invalid name string?
                    if (nNameStringLength <= EXTRA_CHAR_NUMBER)
                    {
                        continue;
                    }

                    // element name
                    string strName = strTemp.Substring(nNameStringLength - EXTRA_CHAR_NUMBER);

                    // make sure the element name is valid
                    if (!vElementNames.Contains(strName))            //auto itr = std::find(vElementNames.begin(), vElementNames.end(), strName);    if (itr == vElementNames.end())
                    {
                        // invalid element name
                        continue;
                    }

                    oElementChemistry.SetName(strName);
                    // percentage
                    double dPercentge = double.Parse(vStrings[2]);
                    oElementChemistry.SetPercentage(dPercentge);
                    listElementChemistrys.Add(oElementChemistry);
                }
            }

            return listElementChemistrys;
        }

        // cleanup 

        // cleanup
        protected void Cleanup()
        {
            // nothing needs to be done at the moment
        }

        // initialization
        protected void Init()
        {
            m_nAtomNum = otsdataconst.ATOMIC_NUMBER_INVALID;
            m_dPercentage = otsdataconst.PERCENTAGE_DEFAULT;
        }

        // duplication
        protected void Duplicate(CElement a_oSource)
        {
            // initialization
            Init();

            // copy data over
            m_nAtomNum = a_oSource.m_nAtomNum;
            m_dPercentage = a_oSource.m_dPercentage;
        }

        // const CString& a_sSource
        // LPCTSTR a_sSep -- separator 
        protected static List<string> SplitString(string a_strSource, string a_strSep)        //std::vector<CString> CElement::SplitString(const CString& a_strSource, LPCTSTR a_strSep)
        {
            // string list
            List<string> listString = new List<string>();

            // source string
            string strSource = a_strSource;

            // find the first separator
            int nPosLast = 0;
            var nPos = strSource.IndexOf(a_strSep, nPosLast);       //var nPos = strSource.Find(a_strSep, nPosLast);

            // found the separator?
            while (nPos >= nPosLast)
            {
                // there is no string between two seperator if nPos == nPosLast
                if (nPos == nPosLast)
                {
                    listString.Add("");
                    nPosLast++;
                }
                else
                {
                    // get the string between two separator
                    string strValue = strSource.Substring(nPosLast, nPos - nPosLast);            //string strValue = strSource.Mid(nPosLast, nPos - nPosLast);
                    strValue.Trim();

                    // add the string into the string list
                    listString.Add(strValue);

                    nPosLast = nPos + 1;
                }

                // try to find the next separator
                nPos = strSource.IndexOf(a_strSep, nPosLast);    //nPos = strSource.Find(a_strSep, nPosLast);
            }

            // push the last one into the string list
            string strLastValue = strSource.Substring(strSource.Length - nPosLast);
            strLastValue.Trim();
            listString.Add(strLastValue);

            // return the string list
            return listString;
        }

    }


}