#ifndef BIOATOMLIBRARY_H
#define BIOATOMLIBRARY_H

#include <string>
#include <map>

class BioAtomLibrary
{
	int atomicNumber_;
	string elementCode_;
	string elementName_;
	double atomicMass_;
	double atomicRadius_;
	double atomicScatteringFactor_;
//	double atomicColour_;
public:
	BioAtomLibrary(){};
	BioAtomLibrary(int eNum,string eCode,string eName, double eMass,double eRad,
	double eScF):atomicNumber_(eNum),elementCode_(eCode),elementName_(eName),
	atomicMass_(eMass),atomicRadius_(eRad), atomicScatteringFactor_(eScF){}   
		
						  //, atomicColour_(eCol){}

	int getAtomicNumber() const { return atomicNumber_; }
	string getElementName() const { return elementName_; }
	string getElementCode() const { return elementCode_; }
	double getAtomicMass() const { return atomicMass_; }
	double getAtomicRadius() const { return atomicRadius_; }
	double getAtomicScatteringFactor() const { return atomicScatteringFactor_; }

//double getAtomicColour() const { return atomicColour_; }
};

static map<string,BioAtomLibrary>Atom;

void setAtomDefaults()
{

//BioAtomLibrary(eNum, eCode, eName, eMass, eRad, eScF);

Atom["H"] = BioAtomLibrary(1,"H","Hydrogen",1.008,0.78,0); 
Atom["D"] = BioAtomLibrary(1,"D","Deuterium",2.000,0.78,0); 
Atom["He"] = BioAtomLibrary(2,"He","Helium",4.003,1.00,0); 
Atom["Li"] = BioAtomLibrary(3,"Li","Lithium",6.941,1.56,0); 
Atom["Be"] = BioAtomLibrary(4,"Be","Beryllium",9.012,1.13,0); 
Atom["B"] = BioAtomLibrary(5,"B","Boron",10.811,0.95,0); 
Atom["C"] = BioAtomLibrary(6,"C","Carbon",12.011,0.86,0); 
Atom["N"] = BioAtomLibrary(7,"N","Nitrogen",14.007,0.80,0); 
Atom["O"] = BioAtomLibrary(8,"O","Oxygen",15.999,0.66,0); 
Atom["F"] = BioAtomLibrary(9,"F","Fluorine",18.998,0.64,0); 
Atom["Ne"] = BioAtomLibrary(10,"Ne","Neon",20.180,1.00,0); 
Atom["Na"] = BioAtomLibrary(11,"Na","Sodium",22.990,1.91,0); 
Atom["Mg"] = BioAtomLibrary(12,"Mg","Magnesium",24.305,1.60,0); 
Atom["Al"] = BioAtomLibrary(13,"Al","Aluminium",26.982,1.43,0); 
Atom["Si"] = BioAtomLibrary(14,"Si","Silicon",28.086,1.34,0); 
Atom["P"] = BioAtomLibrary(15,"P","Phosphorus",30.974,1.30,0); 
Atom["S"] = BioAtomLibrary(16,"S","Sulphur",32.066,1.04,0); 
Atom["Cl"] = BioAtomLibrary(17,"Cl","Chlorine",35.452,1.62,0); 
Atom["Ar"] = BioAtomLibrary(18,"Ar","Argon",39.948,1.00,0); 
Atom["K"] = BioAtomLibrary(19,"K","Potassium",39.098,2.34,0); 
Atom["Ca"] = BioAtomLibrary(20,"Ca","Calcium",40.078,1.97,0); 
Atom["Sc"] = BioAtomLibrary(21,"Sc","Scandium",44.956,1.64,0); 
Atom["Ti"] = BioAtomLibrary(22,"Ti","Titanium",47.883,1.45,0); 
Atom["V"] = BioAtomLibrary(23,"V","Vanadium",50.941,1.35,0); 
Atom["Cr"] = BioAtomLibrary(24,"Cr","Chromium",51.996,1.27,0); 
Atom["Mn"] = BioAtomLibrary(25,"Mn","Manganese",54.938,1.32,0); 
Atom["Fe"] = BioAtomLibrary(26,"Fe","Iron",55.847,1.27,0); 
Atom["Co"] = BioAtomLibrary(27,"Co","Cobalt",58.933,1.26,0); 
Atom["Ni"] = BioAtomLibrary(28,"Ni","Nickel",58.691,1.24,0); 
Atom["Cu"] = BioAtomLibrary(29,"Cu","Copper",63.546,1.28,0); 
Atom["Zn"] = BioAtomLibrary(30,"Zn","Zinc",65.392,1.39,0); 
Atom["Ga"] = BioAtomLibrary(31,"Ga","Gallium",69.723,1.40,0); 
Atom["Ge"] = BioAtomLibrary(32,"Ge","Germanium",72.612,1.40,0); 
Atom["As"] = BioAtomLibrary(33,"As","Arsenic",74.922,1.50,0); 
Atom["Se"] = BioAtomLibrary(34,"Se","Selenium",78.963,1.60,0); 
Atom["Br"] = BioAtomLibrary(35,"Br","Bromine",79.904,1.11,0); 
Atom["Kr"] = BioAtomLibrary(36,"Kr","Krypton",83.801,1.14,0); 
Atom["Rb"] = BioAtomLibrary(37,"Rb","Rubidium",85.468,2.50,0); 
Atom["Sr"] = BioAtomLibrary(38,"Sr","Strontium",87.621,2.15,0); 
Atom["Y"] = BioAtomLibrary(39,"Y","Yttrium",88.906,1.80,0); 
Atom["Zr"] = BioAtomLibrary(40,"Zr","Zirconium",91.224,1.60,0); 
Atom["Nb"] = BioAtomLibrary(41,"Nb","Niobium",92.906,1.48,0); 
Atom["Mo"] = BioAtomLibrary(42,"Mo","Molybdenum",95.941,1.40,0); 
Atom["Tc"] = BioAtomLibrary(43,"Tc","Technetium",98.000,1.35,0); 
Atom["Ru"] = BioAtomLibrary(44,"Ru","Ruthenium",101.072,1.32,0); 
Atom["Rh"] = BioAtomLibrary(45,"Rh","Rhodium",102.905,1.34,0); 
Atom["Pd"] = BioAtomLibrary(46,"Pd","Palladium",106.421,1.37,0); 
Atom["Ag"] = BioAtomLibrary(47,"Ag","Silver",107.868,1.44,0); 
Atom["Cd"] = BioAtomLibrary(48,"Cd","Cadmium",112.411,1.57,0); 
Atom["In"] = BioAtomLibrary(49,"In","Indium",114.821,1.66,0); 
Atom["Sn"] = BioAtomLibrary(50,"Sn","Tin",118.710,1.58,0); 
Atom["Sb"] = BioAtomLibrary(51,"Sb","Antimony",121.753,1.60,0); 
Atom["Te"] = BioAtomLibrary(52,"Te","Tellurium",127.603,1.70,0); 
Atom["I"] = BioAtomLibrary(53,"I","Iodine",126.904,1.95,0); 
Atom["Xe"] = BioAtomLibrary(54,"Xe","Xenon",131.292,1.33,0); 
Atom["Cs"] = BioAtomLibrary(55,"Cs","Cesium",132.905,2.71,0); 
Atom["Ba"] = BioAtomLibrary(56,"Ba","Barium",137.327,2.24,0); 
Atom["La"] = BioAtomLibrary(57,"La","Lanthanum",138.906,1.87,0); 
Atom["Ce"] = BioAtomLibrary(58,"Ce","Cerium",140.115,1.82,0); 
Atom["Pr"] = BioAtomLibrary(59,"Pr","Praseodymium",140.908,1.83,0); 
Atom["Nd"] = BioAtomLibrary(60,"Nd","Neodymium",144.243,1.82,0); 
Atom["Pm"] = BioAtomLibrary(61,"Pm","Promethium",145.000,1.63,0); 
Atom["Sm"] = BioAtomLibrary(62,"Sm","Samarium",150.363,1.80,0); 
Atom["Eu"] = BioAtomLibrary(63,"Eu","Europium",151.965,2.04,0); 
Atom["Gd"] = BioAtomLibrary(64,"Gd","Gadolinium",157.253,1.80,0); 
Atom["Tb"] = BioAtomLibrary(65,"Tb","Terbium",158.925,1.78,0); 
Atom["Dy"] = BioAtomLibrary(66,"Dy","Dysprosium",162.503,1.77,0); 
Atom["Ho"] = BioAtomLibrary(67,"Ho","Holmium",164.930,1.77,0); 
Atom["Er"] = BioAtomLibrary(68,"Er","Erbium",167.263,1.76,0); 
Atom["Tm"] = BioAtomLibrary(69,"Tm","Thuliam",168.934,1.75,0); 
Atom["Yb"] = BioAtomLibrary(70,"Tm","Ytterbium",173.043,1.94,0); 
Atom["Lu"] = BioAtomLibrary(71,"Lu","Lutetium",174.967,1.73,0); 
Atom["Hf"] = BioAtomLibrary(72,"Hf","Hafnium",178.492,1.59,0); 
Atom["Ta"] = BioAtomLibrary(73,"Ta","Tantalum",180.948,1.48,0); 
Atom["W"] = BioAtomLibrary(74,"W","Tungsten",183.853,1.41,0); 
Atom["Re"] = BioAtomLibrary(75,"Re","Rhenium",186.207,1.46,0); 
Atom["Os"] = BioAtomLibrary(76,"Os","Osmium",190.210,1.34,0); 
Atom["Ir"] = BioAtomLibrary(77,"Ir","Iridium",192.223,1.36,0); 
Atom["Pt"] = BioAtomLibrary(78,"Pt","Platinum",195.083,1.39,0); 
Atom["Au"] = BioAtomLibrary(79,"Au","Gold",196.967,1.44,0); 
Atom["Hg"] = BioAtomLibrary(80,"Hg","Mercury",200.593,1.62,0); 
Atom["Tl"] = BioAtomLibrary(81,"Tl","Thallium",204.383,1.73,0); 
Atom["Pb"] = BioAtomLibrary(82,"Pb","Lead",207.210,1.75,0); 
Atom["Bi"] = BioAtomLibrary(83,"Bi","Bismuth",208.980,1.70,0); 
Atom["Po"] = BioAtomLibrary(84,"Po","Polonium",209.000,1.70,0); 
Atom["At"] = BioAtomLibrary(85,"At","Astatine",210.000,1.53,0); 
Atom["Rn"] = BioAtomLibrary(86,"Rn","Radon",222.000,1.53,0); 
Atom["Fr"] = BioAtomLibrary(87,"Fr","Francium",223.000,1.53,0); 
Atom["Ra"] = BioAtomLibrary(88,"Ra","Radium",226.025,1.53,0); 
Atom["Ac"] = BioAtomLibrary(89,"Ac","Actinium",227.028,1.88,0); 
Atom["Th"] = BioAtomLibrary(90,"Th","Thorium",232.038,1.80,0); 
Atom["Pa"] = BioAtomLibrary(91,"Pa","Protactinium",231.035,1.61,0); 
Atom["U"] = BioAtomLibrary(92,"U","Uranium",238.028,1.55,0); 
Atom["Np"] = BioAtomLibrary(93,"Np","Neptunium",237.048,1.58,0); 
Atom["Pu"] = BioAtomLibrary(94,"Pu","Plutonium",244.000,1.64,0); 
Atom["Am"] = BioAtomLibrary(95,"Am","Americium",243.000,1.73,0); 
Atom["Cm"] = BioAtomLibrary(96,"Cm","Curium",247.000,1.42,0); 
Atom["Bk"] = BioAtomLibrary(97,"Bk","Berkelium",247.000,1.42,0); 
Atom["Cf"] = BioAtomLibrary(98,"Cf","Californium",251.000,1.42,0); 
Atom["Es"] = BioAtomLibrary(99,"Es","Einsteinium",254.000,1.42,0); 
Atom["Fm"] = BioAtomLibrary(100,"Fm","Fermium",257.000,1.42,0); 
Atom["Md"] = BioAtomLibrary(101,"Md","Mendelevium",258.000,1.42,0); 
Atom["No"] = BioAtomLibrary(102,"No","Nobelium",259.000,1.42,0); 
Atom["Lr"] = BioAtomLibrary(103,"Lr","Lawrencium",260.000,1.42,0); 

}

#endif