OTS/OTSCPP/OTSData/Element.h

#pragma once
#include "otsdataconst.h"
#include "XMLSerialization.h"
namespace OTSDATA
{

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

	const double ELEMENT_ATOMIC_WEIGHT_VALUES[ATOMIC_NUMBER_MAX] =
	{
		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,
		232.038,231.036,238.029,237.048,244.00,243.00,247.00,247.00,251.00,252.00,257.00,258.00,259.00,260.00
	};

	const double ELEMENT_ENERGY_VALUES_K[ATOMIC_NUMBER_MAX] =
	{
		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
	};

	const double ELEMENT_ENERGY_VALUES_L[ATOMIC_NUMBER_MAX] =
	{
		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
	};

	const double ELEMENT_ENERGY_VALUES_M[ATOMIC_NUMBER_MAX] =
	{
		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
	};

	class __declspec(dllexport) CElementChemistry /*: public xmls::ISlo*/
	{
	/*protected:

		DECLARE_SERIAL(CElementChemistry)*/

	public:

		CElementChemistry();												// constructor
		CElementChemistry(CString a_strName, const double a_dPercentage);	// constructor
		CElementChemistry(const CElementChemistry&);						// copy constructor
		CElementChemistry(CElementChemistry*);								// copy constructor
		CElementChemistry& operator=(const CElementChemistry&);				// =operator
		BOOL operator==(const CElementChemistry&);							// ==operator

		virtual ~CElementChemistry();										// detractor

																			// serialization
		//void Serialize(bool isStoring, tinyxml2::XMLDocument *classDoc, tinyxml2::XMLElement *rootNode);
		// name
		CString GetName() { return m_strName; }
		void SetName(CString a_strName) { m_strName = a_strName; }

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

		// MolarRatio
		double GetMolarPercentage();
		void SetMolarPercentage(double a_dMolarPer);

	protected:

		// cleanup 
		void Cleanup();

		// initialization
		void Init();

		// duplication
		void Duplicate(const CElementChemistry& a_oSource);

		// name
		CString m_strName;

		// percentage (element)
		double m_dPercentage;
	};

	typedef std::shared_ptr<CElementChemistry> __declspec(dllexport) CElementChemistryPtr;
	typedef std::vector<CElementChemistryPtr> __declspec(dllexport) CElementChemistriesList;

	class __declspec(dllexport) CElementArea  
	{
 

	public:

		CElementArea();												// constructor
		CElementArea(const CElementArea&);							// copy constructor
		CElementArea(CElementArea*);								// copy constructor
		CElementArea& operator=(const CElementArea&);				// =operator
		BOOL operator==(const CElementArea&);						// ==operator

		virtual ~CElementArea();									// detractor

																	// serialization

		// element chemistry list
		CElementChemistriesList GetElementList() { return m_listCElementChemistries; }
		void SetElementList(CElementChemistriesList a_listElementChemistries);

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

	protected:

		// cleanup 
		void Cleanup();

		// initialization
		void Init();

		// duplication
		void Duplicate(const CElementArea& a_oSource);

		// element chemistry list
		CElementChemistriesList m_listCElementChemistries;

		// area (element)
		double m_dArea;

	};

	typedef std::shared_ptr<CElementArea> __declspec(dllexport) CElementAreaPtr;
	typedef std::vector<CElementAreaPtr> __declspec(dllexport) CElementAreaList;

	class __declspec(dllexport) CElement : public xmls::ISlo
	{


	public:

		CElement();										// constructor
		CElement(long m_nAtomNum);						// constructor
		CElement(CString a_strName);					// constructor
		CElement(const CElement&);						// copy constructor
		CElement(CElement*);							// copy constructor
		CElement& operator=(const CElement&);			// =operator
		BOOL operator==(const CElement&);				// ==operator

		virtual ~CElement();							// detractor

														// serialization

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

		// atomic number
		int GetAtomNum() const { return m_nAtomNum; }
		void SetAtomNum(long a_nAtomNum) { m_nAtomNum = a_nAtomNum; }

		// percentage
		double GetPercentage() const { return m_dPercentage; }
		void SetPercentage(double a_dPercentage);
		double GetMolarPercentage();

		// name
		CString GetName();
		static CString GetName(long a_nAtomNum);
		static long GetAtomicNum(CString a_strName);

		// atomic weight
		double GetAtomWeight();
		static double GetAtomWeight(long a_nAtomNum);
		static double GetAtomWeight(CString a_strName);

		// energy values
		double GetEnergyValueK();
		static double GetEnergyValueK(long a_nAtomNum);
		double GetEnergyValueL();
		static double GetEnergyValueL(long a_nAtomNum);
		double GetEnergyValueM();
		static double GetEnergyValueM(long a_nAtomNum);
		std::vector<double> GetEnergyValues();
		static std::vector<double> GetEnergyValues(long a_nAtomNum);

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

		static std::vector<CString>& GetElementNameList();
		static CElementChemistriesList ExtractElementChemistrys(CString a_strSource);

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

	protected:

		// cleanup 
		void Cleanup();

		// initialization
		void Init();

		// duplication
		void Duplicate(const CElement& a_oSource);

		// atomic number

		long m_nAtomNum;

		// percentage
		double m_dPercentage;

		static std::vector<CString> m_theElementNameVector;

		static const CString theElementNameList;

		static std::vector<CString> SplitString(const CString& a_sSource, LPCTSTR a_sTok);

	};

	typedef std::shared_ptr<CElement> __declspec(dllexport) CElementPtr;
	typedef std::vector<CElementPtr> __declspec(dllexport) CElementsList;
}