SBMElement Class Reference

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

Elements
enum	Type {   Hydrogen ,   H ,   Helium ,   He ,   Lithium ,   Li ,   Beryllium ,   Be ,   Boron ,   B ,   Carbon ,   C ,   Nitrogen ,   N ,   Oxygen ,   O ,   Fluorine ,   F ,   Neon ,   Ne ,   Sodium ,   Na ,   Magnesium ,   Mg ,   Aluminium ,   Al ,   Silicon ,   Si ,   Phosphorus ,   P ,   Sulfur ,   S ,   Chlorine ,   Cl ,   Argon ,   Ar ,   Potassium ,   K ,   Calcium ,   Ca ,   Scandium ,   Sc ,   Titanium ,   Ti ,   Vanadium ,   V ,   Chromium ,   Cr ,   Manganese ,   Mn ,   Iron ,   Fe ,   Cobalt ,   Co ,   Nickel ,   Ni ,   Copper ,   Cu ,   Zinc ,   Zn ,   Gallium ,   Ga ,   Germanium ,   Ge ,   Arsenic ,   As ,   Selenium ,   Se ,   Bromine ,   Br ,   Krypton ,   Kr ,   Rubidium ,   Rb ,   Strontium ,   Sr ,   Yttrium ,   Y ,   Zirconium ,   Zr ,   Niobium ,   Nb ,   Molybdenum ,   Mo ,   Technetium ,   Tc ,   Ruthenium ,   Ru ,   Rhodium ,   Rh ,   Palladium ,   Pd ,   Silver ,   Ag ,   Cadmium ,   Cd ,   Indium ,   In ,   Tin ,   Sn ,   Antimony ,   Sb ,   Tellurium ,   Te ,   Iodine ,   I ,   Xenon ,   Xe ,   Caesium ,   Cs ,   Barium ,   Ba ,   Lanthanum ,   La ,   Cerium ,   Ce ,   Praseodymium ,   Pr ,   Neodymium ,   Nd ,   Promethium ,   Pm ,   Samarium ,   Sm ,   Europium ,   Eu ,   Gadolinium ,   Gd ,   Terbium ,   Tb ,   Dysprosium ,   Dy ,   Holmium ,   Ho ,   Erbium ,   Er ,   Thulium ,   Tm ,   Ytterbium ,   Yb ,   Lutetium ,   Lu ,   Hafnium ,   Hf ,   Tantalum ,   Ta ,   Tungsten ,   W ,   Rhenium ,   Re ,   Osmium ,   Os ,   Iridium ,   Ir ,   Platinum ,   Pt ,   Gold ,   Au ,   Mercury ,   Hg ,   Thallium ,   Tl ,   Lead ,   Pb ,   Bismuth ,   Bi ,   Polonium ,   Po ,   Astatine ,   At ,   Radon ,   Rn ,   Francium ,   Fr ,   Radium ,   Ra ,   Actinium ,   Ac ,   Thorium ,   Th ,   Protactinium ,   Pa ,   Uranium ,   U ,   Neptunium ,   Np ,   Plutonium ,   Pu ,   Americium ,   Am ,   Curium ,   Cm ,   Berkelium ,   Bk ,   Californium ,   Cf ,   Einsteinium ,   Es ,   Fermium ,   Fm ,   Mendelevium ,   Md ,   Nobelium ,   No ,   Lawrencium ,   Lr ,   Rutherfordium ,   Rf ,   Dubnium ,   Db ,   Seaborgium ,   Sg ,   Bohrium ,   Bh ,   Hassium ,   Hs ,   Meitnerium ,   Mt ,   Darmstadtium ,   Ds ,   Roentgenium ,   Rg ,   Copernicium ,   Cn ,   Nihonium ,   Nh ,   Ununtrium ,   Uut ,   Flerovium ,   Fl ,   Ununquadium ,   Uuq ,   Moscovium ,   Mc ,   Ununpentium ,   Uup ,   Livermorium ,   Lv ,   Ununhexium ,   Uuh ,   Tennessine ,   Ts ,   Ununseptium ,   Uus ,   Oganesson ,   Og ,   Ununoctium ,   Uuo ,   CoarseGrained ,   CG ,   Unknown ,   Un }
	The element type. More...

Categories
enum class	MetalSubcategory {   Unknown ,   AlkaliMetal ,   AlkalineEarthMetal ,   Lanthanide ,   Actinide ,   TransitionMetal ,   PostTransitionMetal ,   Metalloid ,   ReactiveNonmetal ,   NobleGas }

Debugging
virtual void	print (unsigned int offset=0) const
	Prints the element.

Constructors and destructors
SBMElementData *	dataPointer
	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)
virtual	~SBMElement ()
	Deletes the model.

Properties
Type	getType () const
	Returns the type of the element.
std::string	getName () const
	Returns the name of the element.
std::string	getSymbol () const
	Returns the symbol of the element.
std::string	getPeriod () const
	Returns the period of the element.
unsigned int	getGroup () const
	Returns the group of the element.
std::string	getBlock () const
	Returns the block of the element.
SBQuantity::mass	getAtomicWeight () const
	Returns the atomic weight 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 returns getCovalentRadius())
SBQuantity::length	getVanDerWaalsRadius () const
	Returns the van der Waals radius of the element.
SBQuantity::dimensionless	getElectronegativity () const
	Returns the electronegativity 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.
bool	isMetal () const
	Returns true if the element is 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	isLanthanide () const
	Returns true if the element is lanthanide metal.
bool	isActinide () const
	Returns true if the element is actinide metal.
bool	isTransitionMetal () const
	Returns true if the element is transition metal.
bool	isPostTransitionMetal () const
	Returns true if the element is post-transition metal.
bool	isMetalloid () const
	Returns true if the element is metalloid.
bool	isNobleGas () const
	Returns true if the element is noble gas.
bool	isReactiveNonmetal () const
	Returns true if the element is reactive nonmetal.
bool	isDiatomicNonmetal () const
	Returns true if the element is diatomic nonmetal.
bool	isPolyatomicNonmetal () const
	Returns true if the element is polyatomic nonmetal.
bool	isHalogen () const
	Returns true if the element is halogen.
bool	isCoarseGrained () const
	Returns true if the element is coarse grained.
bool	hasOxidationState (const int value) const
	Returns true if the element has known oxidation state with the value value.

Rendering
const float(&	getColorCPK () const)[4]
	Returns the CPK color of the element.

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

SAMSON's unit system

Member Enumeration Documentation

MetalSubcategory

enum class SBMElement::MetalSubcategory

strong

Enumerator
Unknown	Unknown metal subcategory.
AlkaliMetal	Alkali metal category.
AlkalineEarthMetal	Alkaline earth metal category.
Lanthanide	Lanthanide metal category.
Actinide	Actinide metal category.
TransitionMetal	Transition metal category.
PostTransitionMetal	Post-transition metal category.
Metalloid	Metalloid metal category.
ReactiveNonmetal	Reactive nonmetal category.
NobleGas	Noble gases.

Type

enum SBMElement::Type

Enumerator
Hydrogen	The type of the Hydrogen element.
H	The type of the Hydrogen element.
Helium	The type of the Helium element.
He	The type of the Helium element.
Lithium	The type of the Lithium element.
Li	The type of the Lithium element.
Beryllium	The type of the Beryllium element.
Be	The type of the Beryllium element.
Boron	The type of the Boron element.
B	The type of the Boron element.
Carbon	The type of the Carbon element.
C	The type of the Carbon element.
Nitrogen	The type of the Nitrogen element.
N	The type of the Nitrogen element.
Oxygen	The type of the Oxygen element.
O	The type of the Oxygen element.
Fluorine	The type of the Fluorine element.
F	The type of the Fluorine element.
Neon	The type of the Neon element.
Ne	The type of the Neon element.
Sodium	The type of the Sodium element.
Na	The type of the Sodium element.
Magnesium	The type of the Magnesium element.
Mg	The type of the Magnesium element.
Aluminium	The type of the Aluminium element.
Al	The type of the Aluminium element.
Silicon	The type of the Silicon element.
Si	The type of the Silicon element.
Phosphorus	The type of the Phosphorus element.
P	The type of the Phosphorus element.
Sulfur	The type of the Sulfur element.
S	The type of the Sulfur element.
Chlorine	The type of the Chlorine element.
Cl	The type of the Chlorine element.
Argon	The type of the Argon element.
Ar	The type of the Argon element.
Potassium	The type of the Potassium element.
K	The type of the Potassium element.
Calcium	The type of the Calcium element.
Ca	The type of the Calcium element.
Scandium	The type of the Scandium element.
Sc	The type of the Scandium element.
Titanium	The type of the Titanium element.
Ti	The type of the Titanium element.
Vanadium	The type of the Vanadium element.
V	The type of the Vanadium element.
Chromium	The type of the Chromium element.
Cr	The type of the Chromium element.
Manganese	The type of the Manganese element.
Mn	The type of the Manganese element.
Iron	The type of the Iron element.
Fe	The type of the Iron element.
Cobalt	The type of the Cobalt element.
Co	The type of the Cobalt element.
Nickel	The type of the Nickel element.
Ni	The type of the Nickel element.
Copper	The type of the Copper element.
Cu	The type of the Copper element.
Zinc	The type of the Zinc element.
Zn	The type of the Zinc element.
Gallium	The type of the Gallium element.
Ga	The type of the Gallium element.
Germanium	The type of the Germanium element.
Ge	The type of the Germanium element.
Arsenic	The type of the Arsenic element.
As	The type of the Arsenic element.
Selenium	The type of the Selenium element.
Se	The type of the Selenium element.
Bromine	The type of the Bromine element.
Br	The type of the Bromine element.
Krypton	The type of the Krypton element.
Kr	The type of the Krypton element.
Rubidium	The type of the Rubidium element.
Rb	The type of the Rubidium element.
Strontium	The type of the Strontium element.
Sr	The type of the Strontium element.
Yttrium	The type of the Yttrium element.
Y	The type of the Yttrium element.
Zirconium	The type of the Zirconium element.
Zr	The type of the Zirconium element.
Niobium	The type of the Niobium element.
Nb	The type of the Niobium element.
Molybdenum	The type of the Molybdenum element.
Mo	The type of the Molybdenum element.
Technetium	The type of the Technetium element.
Tc	The type of the Technetium element.
Ruthenium	The type of the Ruthenium element.
Ru	The type of the Ruthenium element.
Rhodium	The type of the Rhodium element.
Rh	The type of the Rhodium element.
Palladium	The type of the Palladium element.
Pd	The type of the Palladium element.
Silver	The type of the Silver element.
Ag	The type of the Silver element.
Cadmium	The type of the Cadmium element.
Cd	The type of the Cadmium element.
Indium	The type of the Indium element.
In	The type of the Indium element.
Tin	The type of the Tin element.
Sn	The type of the Tin element.
Antimony	The type of the Antimony element.
Sb	The type of the Antimony element.
Tellurium	The type of the Tellurium element.
Te	The type of the Tellurium element.
Iodine	The type of the Iodine element.
I	The type of the Iodine element.
Xenon	The type of the Xenon element.
Xe	The type of the Xenon element.
Caesium	The type of the Caesium element.
Cs	The type of the Caesium element.
Barium	The type of the Barium element.
Ba	The type of the Barium element.
Lanthanum	The type of the Lanthanum element.
La	The type of the Lanthanum element.
Cerium	The type of the Cerium element.
Ce	The type of the Cerium element.
Praseodymium	The type of the Praseodymium element.
Pr	The type of the Praseodymium element.
Neodymium	The type of the Neodymium element.
Nd	The type of the Neodymium element.
Promethium	The type of the Promethium element.
Pm	The type of the Promethium element.
Samarium	The type of the Samarium element.
Sm	The type of the Samarium element.
Europium	The type of the Europium element.
Eu	The type of the Europium element.
Gadolinium	The type of the Gadolinium element.
Gd	The type of the Gadolinium element.
Terbium	The type of the Terbium element.
Tb	The type of the Terbium element.
Dysprosium	The type of the Dysprosium element.
Dy	The type of the Dysprosium element.
Holmium	The type of the Holmium element.
Ho	The type of the Holmium element.
Erbium	The type of the Erbium element.
Er	The type of the Erbium element.
Thulium	The type of the Thulium element.
Tm	The type of the Thulium element.
Ytterbium	The type of the Ytterbium element.
Yb	The type of the Ytterbium element.
Lutetium	The type of the Lutetium element.
Lu	The type of the Lutetium element.
Hafnium	The type of the Hafnium element.
Hf	The type of the Hafnium element.
Tantalum	The type of the Tantalum element.
Ta	The type of the Tantalum element.
Tungsten	The type of the Tungsten element.
W	The type of the Tungsten element.
Rhenium	The type of the Rhenium element.
Re	The type of the Rhenium element.
Osmium	The type of the Osmium element.
Os	The type of the Osmium element.
Iridium	The type of the Iridium element.
Ir	The type of the Iridium element.
Platinum	The type of the Platinum element.
Pt	The type of the Platinum element.
Gold	The type of the Gold element.
Au	The type of the Gold element.
Mercury	The type of the Mercury element.
Hg	The type of the Mercury element.
Thallium	The type of the Thallium element.
Tl	The type of the Thallium element.
Lead	The type of the Lead element.
Pb	The type of the Lead element.
Bismuth	The type of the Bismuth element.
Bi	The type of the Bismuth element.
Polonium	The type of the Polonium element.
Po	The type of the Polonium element.
Astatine	The type of the Astatine element.
At	The type of the Astatine element.
Radon	The type of the Radon element.
Rn	The type of the Radon element.
Francium	The type of the Francium element.
Fr	The type of the Francium element.
Radium	The type of the Radium element.
Ra	The type of the Radium element.
Actinium	The type of the Actinium element.
Ac	The type of the Actinium element.
Thorium	The type of the Thorium element.
Th	The type of the Thorium element.
Protactinium	The type of the Protactinium element.
Pa	The type of the Protactinium element.
Uranium	The type of the Uranium element.
U	The type of the Uranium element.
Neptunium	The type of the Neptunium element.
Np	The type of the Neptunium element.
Plutonium	The type of the Plutonium element.
Pu	The type of the Plutonium element.
Americium	The type of the Americium element.
Am	The type of the Americium element.
Curium	The type of the Curium element.
Cm	The type of the Curium element.
Berkelium	The type of the Berkelium element.
Bk	The type of the Berkelium element.
Californium	The type of the Californium element.
Cf	The type of the Californium element.
Einsteinium	The type of the Einsteinium element.
Es	The type of the Einsteinium element.
Fermium	The type of the Fermium element.
Fm	The type of the Fermium element.
Mendelevium	The type of the Mendelevium element.
Md	The type of the Mendelevium element.
Nobelium	The type of the Nobelium element.
No	The type of the Nobelium element.
Lawrencium	The type of the Lawrencium element.
Lr	The type of the Lawrencium element.
Rutherfordium	The type of the Rutherfordium element.
Rf	The type of the Rutherfordium element.
Dubnium	The type of the Dubnium element.
Db	The type of the Dubnium element.
Seaborgium	The type of the Seaborgium element.
Sg	The type of the Seaborgium element.
Bohrium	The type of the Bohrium element.
Bh	The type of the Bohrium element.
Hassium	The type of the Hassium element.
Hs	The type of the Hassium element.
Meitnerium	The type of the Meitnerium element.
Mt	The type of the Meitnerium element.
Darmstadtium	The type of the Darmstadtium element.
Ds	The type of the Darmstadtium element.
Roentgenium	The type of the Roentgenium element.
Rg	The type of the Roentgenium element.
Copernicium	The type of the Copernicium element.
Cn	The type of the Copernicium element.
Nihonium	The type of the Nihonium element.
Nh	The type of the Nihonium element.
Ununtrium	The type of the Ununtrium element.
Uut	The type of the Ununtrium element.
Flerovium	The type of the Flerovium element.
Fl	The type of the Flerovium element.
Ununquadium	The type of the Ununquadium element.
Uuq	The type of the Ununquadium element.
Moscovium	The type of the Moscovium element.
Mc	The type of the Moscovium element.
Ununpentium	The type of the Ununpentium element.
Uup	The type of the Ununpentium element.
Livermorium	The type of the Livermorium element.
Lv	The type of the Livermorium element.
Ununhexium	The type of the Ununhexium element.
Uuh	The type of the Ununhexium element.
Tennessine	The type of the Tennessine element.
Ts	The type of the Tennessine element.
Ununseptium	The type of the Ununseptium element.
Uus	The type of the Ununseptium element.
Oganesson	The type of the Oganesson element.
Og	The type of the Oganesson element.
Ununoctium	The type of the Ununoctium element.
Uuo	The type of the Ununoctium element.
CoarseGrained	The type of coarse-grained atoms.
CG	The type of coarse-grained atoms.
Unknown	The type of an unknown element.
Un	The type of an unknown element.