Class SBMElement

ClassList > SBMElement

This class describes a periodic table element. More...

• #include "SBMElement.hpp"

Public Types

Type	Name
enum	MetalSubcategory The metal subcategory types.
enum	Type The element types.

Public Functions

Type	Name
SBQuantity::mass	getAtomicWeight () const Returns the atomic weight of the element.
std::string	getBlock () const Returns the block of the element.
const float(&	getColorCPK () Returns the CPK color of the element.
SBQuantity::length	getCovalentRadius () const Returns the covalent radius of the element.
SBQuantity::length	getCovalentRadius (int bondType) const Returns the covalent radius of the element for bond type bondType (1 for single bond, 2 for double bond, 3 for triple bond, for other values it returnsgetCovalentRadius() )
SBQuantity::dimensionless	getElectronegativity () const Returns the electronegativity of the element.
unsigned int	getGroup () const Returns the group of the element.
MetalSubcategory	getMetalSubcategory () const Returns the element's subcategory type in the metal–metalloid–nonmetal trend.
std::string	getMetalSubcategoryString () const Returns the string representation of the element's subcategory type in the metal–metalloid–nonmetal trend.
std::string	getName () const Returns the name of the element.
std::string	getPeriod () const Returns the period of the element.
std::string	getSymbol () const Returns the symbol of the element.
Type	getType () const Returns the type of the element.
SBQuantity::length	getVanDerWaalsRadius () const Returns the van der Waals radius of the element.
bool	hasOxidationState (const int value) const Returns true if the element has known oxidation state with the valuevalue .
bool	isActinide () const Returns true if the element is actinide metal.
bool	isAlkaliMetal () const Returns true if the element is alkali metal.
bool	isAlkalineEarthMetal () const Returns true if the element is alkaline earth metal.
bool	isCoarseGrained () const Returns true if the element is coarse grained.
bool	isDiatomicNonmetal () const Returns true if the element is diatomic nonmetal.
bool	isHalogen () const Returns true if the element is halogen.
bool	isLanthanide () const Returns true if the element is lanthanide metal.
bool	isMetal () const Returns true if the element is metal.
bool	isMetalloid () const Returns true if the element is metalloid.
bool	isNobleGas () const Returns true if the element is noble gas.
bool	isPolyatomicNonmetal () const Returns true if the element is polyatomic nonmetal.
bool	isPostTransitionMetal () const Returns true if the element is post-transition metal.
bool	isReactiveNonmetal () const Returns true if the element is reactive nonmetal.
bool	isTransitionMetal () const Returns true if the element is transition metal.
virtual void	print (unsigned int offset=0) const Prints the element.

Protected Attributes

Type	Name
SBMElementData *	dataPointer A pointer to the private data.

Protected Functions

Type	Name
	SBMElement (Type type, std::string name, std::string symbol, std::string period, unsigned int group, std::string block, SBQuantity::mass atomicWeight, SBQuantity::length covalentRadius, SBQuantity::length vanDerWaalsRadius, short implicitValence, SBQuantity::dimensionless electronegativity) Protected constructor.
virtual	~SBMElement () Destructor.

Detailed Description

This class is used to describe the periodic table in SAMSON.

Typically, this class is used when constructing atoms, or when accessing properties of periodic table elements:

const SBMElement& element = SBElementTable::getElement(SBElement::Carbon);
SBQuantity::length r = element.getCovalentRadius();

Note that convenience functions exist in atoms to access the properties of their element:

SBQuantity::length r = atom->getCovalentRadius();

Short name: SBElement

See also: SBMElementTable

See also: SAMSON's unit system

Public Types Documentation

enum MetalSubcategory

The metal subcategory types.

enum SBMElement::MetalSubcategory {
    Unknown = 0,
    AlkaliMetal = 1,
    AlkalineEarthMetal = 2,
    Lanthanide = 3,
    Actinide = 4,
    TransitionMetal = 5,
    PostTransitionMetal = 6,
    Metalloid = 7,
    ReactiveNonmetal = 9,
    NobleGas = 10
};

---

enum Type

The element types.

enum SBMElement::Type {
    Hydrogen = 1,
    H = 1,
    Helium = 2,
    He = 2,
    Lithium = 3,
    Li = 3,
    Beryllium = 4,
    Be = 4,
    Boron = 5,
    B = 5,
    Carbon = 6,
    C = 6,
    Nitrogen = 7,
    N = 7,
    Oxygen = 8,
    O = 8,
    Fluorine = 9,
    F = 9,
    Neon = 10,
    Ne = 10,
    Sodium = 11,
    Na = 11,
    Magnesium = 12,
    Mg = 12,
    Aluminium = 13,
    Al = 13,
    Silicon = 14,
    Si = 14,
    Phosphorus = 15,
    P = 15,
    Sulfur = 16,
    S = 16,
    Chlorine = 17,
    Cl = 17,
    Argon = 18,
    Ar = 18,
    Potassium = 19,
    K = 19,
    Calcium = 20,
    Ca = 20,
    Scandium = 21,
    Sc = 21,
    Titanium = 22,
    Ti = 22,
    Vanadium = 23,
    V = 23,
    Chromium = 24,
    Cr = 24,
    Manganese = 25,
    Mn = 25,
    Iron = 26,
    Fe = 26,
    Cobalt = 27,
    Co = 27,
    Nickel = 28,
    Ni = 28,
    Copper = 29,
    Cu = 29,
    Zinc = 30,
    Zn = 30,
    Gallium = 31,
    Ga = 31,
    Germanium = 32,
    Ge = 32,
    Arsenic = 33,
    As = 33,
    Selenium = 34,
    Se = 34,
    Bromine = 35,
    Br = 35,
    Krypton = 36,
    Kr = 36,
    Rubidium = 37,
    Rb = 37,
    Strontium = 38,
    Sr = 38,
    Yttrium = 39,
    Y = 39,
    Zirconium = 40,
    Zr = 40,
    Niobium = 41,
    Nb = 41,
    Molybdenum = 42,
    Mo = 42,
    Technetium = 43,
    Tc = 43,
    Ruthenium = 44,
    Ru = 44,
    Rhodium = 45,
    Rh = 45,
    Palladium = 46,
    Pd = 46,
    Silver = 47,
    Ag = 47,
    Cadmium = 48,
    Cd = 48,
    Indium = 49,
    In = 49,
    Tin = 50,
    Sn = 50,
    Antimony = 51,
    Sb = 51,
    Tellurium = 52,
    Te = 52,
    Iodine = 53,
    I = 53,
    Xenon = 54,
    Xe = 54,
    Caesium = 55,
    Cs = 55,
    Barium = 56,
    Ba = 56,
    Lanthanum = 57,
    La = 57,
    Cerium = 58,
    Ce = 58,
    Praseodymium = 59,
    Pr = 59,
    Neodymium = 60,
    Nd = 60,
    Promethium = 61,
    Pm = 61,
    Samarium = 62,
    Sm = 62,
    Europium = 63,
    Eu = 63,
    Gadolinium = 64,
    Gd = 64,
    Terbium = 65,
    Tb = 65,
    Dysprosium = 66,
    Dy = 66,
    Holmium = 67,
    Ho = 67,
    Erbium = 68,
    Er = 68,
    Thulium = 69,
    Tm = 69,
    Ytterbium = 70,
    Yb = 70,
    Lutetium = 71,
    Lu = 71,
    Hafnium = 72,
    Hf = 72,
    Tantalum = 73,
    Ta = 73,
    Tungsten = 74,
    W = 74,
    Rhenium = 75,
    Re = 75,
    Osmium = 76,
    Os = 76,
    Iridium = 77,
    Ir = 77,
    Platinum = 78,
    Pt = 78,
    Gold = 79,
    Au = 79,
    Mercury = 80,
    Hg = 80,
    Thallium = 81,
    Tl = 81,
    Lead = 82,
    Pb = 82,
    Bismuth = 83,
    Bi = 83,
    Polonium = 84,
    Po = 84,
    Astatine = 85,
    At = 85,
    Radon = 86,
    Rn = 86,
    Francium = 87,
    Fr = 87,
    Radium = 88,
    Ra = 88,
    Actinium = 89,
    Ac = 89,
    Thorium = 90,
    Th = 90,
    Protactinium = 91,
    Pa = 91,
    Uranium = 92,
    U = 92,
    Neptunium = 93,
    Np = 93,
    Plutonium = 94,
    Pu = 94,
    Americium = 95,
    Am = 95,
    Curium = 96,
    Cm = 96,
    Berkelium = 97,
    Bk = 97,
    Californium = 98,
    Cf = 98,
    Einsteinium = 99,
    Es = 99,
    Fermium = 100,
    Fm = 100,
    Mendelevium = 101,
    Md = 101,
    Nobelium = 102,
    No = 102,
    Lawrencium = 103,
    Lr = 103,
    Rutherfordium = 104,
    Rf = 104,
    Dubnium = 105,
    Db = 105,
    Seaborgium = 106,
    Sg = 106,
    Bohrium = 107,
    Bh = 107,
    Hassium = 108,
    Hs = 108,
    Meitnerium = 109,
    Mt = 109,
    Darmstadtium = 110,
    Ds = 110,
    Roentgenium = 111,
    Rg = 111,
    Copernicium = 112,
    Cn = 112,
    Nihonium = 113,
    Nh = 113,
    Ununtrium = 113,
    Uut = 113,
    Flerovium = 114,
    Fl = 114,
    Ununquadium = 114,
    Uuq = 114,
    Moscovium = 115,
    Mc = 115,
    Ununpentium = 115,
    Uup = 115,
    Livermorium = 116,
    Lv = 116,
    Ununhexium = 116,
    Uuh = 116,
    Tennessine = 117,
    Ts = 117,
    Ununseptium = 117,
    Uus = 117,
    Oganesson = 118,
    Og = 118,
    Ununoctium = 118,
    Uuo = 118,
    CoarseGrained = 200,
    CG = 200,
    Unknown = 0,
    Un = 0
};

---

Public Functions Documentation

function getAtomicWeight

Returns the atomic weight of the element.

SBQuantity::mass SBMElement::getAtomicWeight () const

---

function getBlock

Returns the block of the element.

std::string SBMElement::getBlock () const

---

function getColorCPK

Returns the CPK color of the element.

const float(& SBMElement::getColorCPK () 

---

function getCovalentRadius [1/2]

Returns the covalent radius of the element.

SBQuantity::length SBMElement::getCovalentRadius () const

---

function getCovalentRadius [2/2]

Returns the covalent radius of the element for bond type bondType (1 for single bond, 2 for double bond, 3 for triple bond, for other values it returnsgetCovalentRadius() )

SBQuantity::length SBMElement::getCovalentRadius (
    int bondType
) const

---

function getElectronegativity

Returns the electronegativity of the element.

SBQuantity::dimensionless SBMElement::getElectronegativity () const

---

function getGroup

Returns the group of the element.

unsigned int SBMElement::getGroup () const

---

function getMetalSubcategory

Returns the element's subcategory type in the metal–metalloid–nonmetal trend.

MetalSubcategory SBMElement::getMetalSubcategory () const

---

function getMetalSubcategoryString

Returns the string representation of the element's subcategory type in the metal–metalloid–nonmetal trend.

std::string SBMElement::getMetalSubcategoryString () const

---

function getName

Returns the name of the element.

std::string SBMElement::getName () const

---

function getPeriod

Returns the period of the element.

std::string SBMElement::getPeriod () const

---

function getSymbol

Returns the symbol of the element.

std::string SBMElement::getSymbol () const

---

function getType

Returns the type of the element.

Type SBMElement::getType () const

---

function getVanDerWaalsRadius

Returns the van der Waals radius of the element.

SBQuantity::length SBMElement::getVanDerWaalsRadius () const

---

function hasOxidationState

Returns true if the element has known oxidation state with the valuevalue .

bool SBMElement::hasOxidationState (
    const int value
) const

---

function isActinide

Returns true if the element is actinide metal.

bool SBMElement::isActinide () const

---

function isAlkaliMetal

Returns true if the element is alkali metal.

bool SBMElement::isAlkaliMetal () const

---

function isAlkalineEarthMetal

Returns true if the element is alkaline earth metal.

bool SBMElement::isAlkalineEarthMetal () const

---

function isCoarseGrained

Returns true if the element is coarse grained.

bool SBMElement::isCoarseGrained () const

---

function isDiatomicNonmetal

Returns true if the element is diatomic nonmetal.

bool SBMElement::isDiatomicNonmetal () const

---

function isHalogen

Returns true if the element is halogen.

bool SBMElement::isHalogen () const

---

function isLanthanide

Returns true if the element is lanthanide metal.

bool SBMElement::isLanthanide () const

---

function isMetal

Returns true if the element is metal.

bool SBMElement::isMetal () const

---

function isMetalloid

Returns true if the element is metalloid.

bool SBMElement::isMetalloid () const

---

function isNobleGas

Returns true if the element is noble gas.

bool SBMElement::isNobleGas () const

---

function isPolyatomicNonmetal

Returns true if the element is polyatomic nonmetal.

bool SBMElement::isPolyatomicNonmetal () const

---

function isPostTransitionMetal

Returns true if the element is post-transition metal.

bool SBMElement::isPostTransitionMetal () const

---

function isReactiveNonmetal

Returns true if the element is reactive nonmetal.

bool SBMElement::isReactiveNonmetal () const

---

function isTransitionMetal

Returns true if the element is transition metal.

bool SBMElement::isTransitionMetal () const

---

function print

Prints the element.

virtual void SBMElement::print (
    unsigned int offset=0
) const

---

Protected Attributes Documentation

variable dataPointer

A pointer to the private data.

SBMElementData* SBMElement::dataPointer;

---

Protected Functions Documentation

function SBMElement

Protected constructor.

SBMElement::SBMElement (
    Type type,
    std::string name,
    std::string symbol,
    std::string period,
    unsigned int group,
    std::string block,
    SBQuantity::mass atomicWeight,
    SBQuantity::length covalentRadius,
    SBQuantity::length vanDerWaalsRadius,
    short implicitValence,
    SBQuantity::dimensionless electronegativity
) 

---

function ~SBMElement

Destructor.

virtual SBMElement::~SBMElement () 

Deletes the model.

---