BALL
1.4.2
|
Classes | |
class | BALL::Element |
class | BALL::PTE_ |
struct | BALL::PTE_::SymbolToElement |
Typedefs | |
typedef short | BALL::Element::Group |
typedef short | BALL::Element::Period |
typedef short | BALL::Element::AtomicNumber |
Functions | |
BALL_EXPORT std::ostream & | BALL::operator<< (std::ostream &s, const Element &element) |
Variables | |
static Element | BALL::Element::UNKNOWN |
String | BALL::Element::name_ |
String | BALL::Element::symbol_ |
Group | BALL::Element::group_ |
Period | BALL::Element::period_ |
AtomicNumber | BALL::Element::atomic_number_ |
float | BALL::Element::atomic_weight_ |
float | BALL::Element::atomic_radius_ |
float | BALL::Element::covalent_radius_ |
float | BALL::Element::van_der_waals_radius_ |
bool | BALL::Element::is_metal_ |
float | BALL::Element::electronegativity_ |
const char * | BALL::PTE_::SymbolToElement::symbol |
Element * | BALL::PTE_::SymbolToElement::element |
static Element | BALL::PTE_::element_ [] |
static SymbolToElement | BALL::PTE_::symbol_to_element_ [] |
static Element * | BALL::PTE_::atomic_number_to_element_ [] |
Constructors and Destructors. | |
BALL::Element::Element () | |
BALL::Element::Element (const String &name, const String &symbol, Group group, Period period, AtomicNumber atomic_umber, float atomic_weight, float atomic_radius, float covalent_radius, float van_der_waals_radius, bool is_metal, float electronegativity) | |
virtual | BALL::Element::~Element () |
virtual void | BALL::Element::clear () |
Operators | |
bool | BALL::Element::operator== (const Element &element) const |
bool | BALL::Element::operator!= (const Element &element) const |
bool | BALL::Element::operator< (const Element &element) const |
bool | BALL::Element::operator<= (const Element &element) const |
bool | BALL::Element::operator>= (const Element &element) const |
bool | BALL::Element::operator> (const Element &element) const |
BALL_EXPORT friend std::ostream & | BALL::Element::operator<< (std::ostream &s, const Element &element) |
Predicates | |
bool | BALL::Element::isUnknown () const |
bool | BALL::Element::isMetal () const |
Constructors and Destructors | |
BALL::PTE_::PTE_ () | |
BALL::PTE_::PTE_ (const PTE_ &pse) | |
virtual | BALL::PTE_::~PTE_ () |
virtual void | BALL::PTE_::clear () |
Assignment | |
PTE_ & | BALL::PTE_::operator= (const PTE_ &) |
Accessors | |
static Element & | BALL::PTE_::getElement (Position atomic_number) |
static Element & | BALL::PTE_::getElement (const String &symbol) |
Operators | |
bool | BALL::PTE_::operator== (const PTE_ &pte) const |
Element & | BALL::PTE_::operator[] (const String &symbol) |
const Element & | BALL::PTE_::operator[] (const String &symbol) const |
Element & | BALL::PTE_::operator[] (Element::Name name) |
const Element & | BALL::PTE_::operator[] (Element::Name name) const |
Element & | BALL::PTE_::operator[] (Element::Symbol symbol) |
const Element & | BALL::PTE_::operator[] (Element::Symbol symbol) const |
Element & | BALL::PTE_::operator[] (Position position) |
const Element & | BALL::PTE_::operator[] (Position position) const |
Application methods | |
static bool | BALL::PTE_::apply (UnaryProcessor< Element > &applicator) |
These classes represent elements and the periodic table of elements. The Element class is used to describe common properties of atoms (e.g., mass, nuclear charge, element symbol). Elements can be retrieved from the PTE object (Periodic Table of Elements) which is a global instance of PTE_ .
typedef short BALL::Element::AtomicNumber |
typedef short BALL::Element::Group |
typedef short BALL::Element::Period |
enum BALL::Element::Name |
Name Element names.
BALL::Element::Element | ( | ) |
Default constructor The instance is set to the default values (= UNKNOWN element).
BALL::Element::Element | ( | const String & | name, |
const String & | symbol, | ||
Group | group, | ||
Period | period, | ||
AtomicNumber | atomic_umber, | ||
float | atomic_weight, | ||
float | atomic_radius, | ||
float | covalent_radius, | ||
float | van_der_waals_radius, | ||
bool | is_metal, | ||
float | electronegativity | ||
) |
Detailed constructor
BALL::PTE_::PTE_ | ( | ) |
Default constructor
BALL::PTE_::PTE_ | ( | const PTE_ & | pse | ) |
Default constructor
|
virtual |
Destructor
|
virtual |
Destructor
|
static |
Application of an unary processor on every contained element.
processor | a typed unary processor for Element instances |
true
if application has been terminated successfully, false
otherwise
|
virtual |
Clear method. The instance is set to the default values (= UNKNOWN element).
|
virtual |
Clear method.
AtomicNumber BALL::Element::getAtomicNumber | ( | ) | const |
Get the atomic number.
float BALL::Element::getAtomicRadius | ( | ) | const |
Get the atomic radius.
float BALL::Element::getAtomicWeight | ( | ) | const |
Get the atomic weight.
float BALL::Element::getCovalentRadius | ( | ) | const |
Get the covalent radius.
float BALL::Element::getElectronegativity | ( | ) | const |
Get the electronegativity.
|
static |
Return the element that has the specified atomic number.
|
static |
Group BALL::Element::getGroup | ( | ) | const |
Get the atomic group.
const String& BALL::Element::getName | ( | ) | const |
Get the name.
Period BALL::Element::getPeriod | ( | ) | const |
Get the atomic period.
const String& BALL::Element::getSymbol | ( | ) | const |
Get the atomic symbol.
float BALL::Element::getVanDerWaalsRadius | ( | ) | const |
Get the VanDerWaals radius.
bool BALL::Element::isMetal | ( | ) | const |
bool BALL::Element::isUnknown | ( | ) | const |
Test if this instance is unknown. Returns true if instance is equal the static Element UNKNOWN (The default constructor returns such an element).
Inequality operator. Tests if the atomic number of two elements are inequal.
element | the Element to compare with |
Less operator. Tests if the atomic number of this instance is less compared with element .
element | the Element to compare with |
BALL_EXPORT std::ostream& BALL::operator<< | ( | std::ostream & | s, |
const Element & | element | ||
) |
Less or equal operator. Tests if the atomic number of this instance is less or equal compared with element .
element,the | Element to compare with |
PTE_& BALL::PTE_::operator= | ( | const PTE_ & | ) |
Assignment operator Does not assign anything. Implemented just for the OCI.
Equality operator. Tests if the atomic number of two elements are equal.
element | the Element to compare with |
Equality operator. Always returns true. Implemented just for the OCI.
Greater operator. Tests if the atomic number of this instance is greater than element .
element | the Element to compare with |
Greater or equal operator. Tests if the atomic number of this instance is greater or equal compared with element .
element | the Element to compare with |
Element& BALL::PTE_::operator[] | ( | const String & | symbol | ) |
const Element& BALL::PTE_::operator[] | ( | const String & | symbol | ) | const |
Element& BALL::PTE_::operator[] | ( | Element::Name | name | ) |
const Element& BALL::PTE_::operator[] | ( | Element::Name | name | ) | const |
Element& BALL::PTE_::operator[] | ( | Element::Symbol | symbol | ) |
Access operator with a given Element::Symbol.
const Element& BALL::PTE_::operator[] | ( | Element::Symbol | symbol | ) | const |
Access operator with a given Element::Symbol.
Element& BALL::PTE_::operator[] | ( | Position | position | ) |
const Element& BALL::PTE_::operator[] | ( | Position | position | ) | const |
void BALL::Element::setAtomicNumber | ( | AtomicNumber | atomic_number | ) |
Set the atomic number.
atomic_number | the new atomic number |
void BALL::Element::setAtomicRadius | ( | float | atomic_radius | ) |
Set the atomic radius.
atomic_radius | the new atomic radius (in Angstrom) |
void BALL::Element::setAtomicWeight | ( | float | atomic_weight | ) |
Set the atomic weight.
atomic_weight | the new atomic weight |
void BALL::Element::setCovalentRadius | ( | float | covalent_radius | ) |
Set the covalent radius.
covalent_radius | the new covalent radius (in Angstrom) |
void BALL::Element::setElectronegativity | ( | float | electronegativity | ) |
Set the electronegativity.
electronegativity | the new electronegativity (according to the Pauling scale) |
void BALL::Element::setGroup | ( | Group | group | ) |
Set the atomic group.
group | (short) the new group |
void BALL::Element::setName | ( | const String & | name | ) |
Set the name.
name | the new name |
void BALL::Element::setPeriod | ( | Period | period | ) |
Set the atomic period.
period | (short) the new period |
void BALL::Element::setSymbol | ( | const String & | symbol | ) |
Set the atomic symbol.
symbol | the new symbol |
void BALL::Element::setVanDerWaalsRadius | ( | float | van_der_waals_radius | ) |
Set the VanDerWaals radius.
van_der_waals_radius | the new VanDerWaals radius (in Angstrom) |
|
private |
|
staticprivate |
|
private |
|
private |
The atomic weight of an element (resp. of its most stabile isotope) is the ratio of the mass of one mole of the element in a defined source to 1/12 of the mass of chemically unbound C-12 in its nuclear and electronic ground state. Adapted from the 1993 report of the IUPAC Commission on Atomic Weights and Isotopic Abundances
|
private |
|
private |
|
private |
The group number is an identifier used to describe the column of the standard periodic table in which the element appears.
NOTES: There is considerable confusion surrounding the Group labels. The scheme used in WebElements is numeric and is the current IUPAC convention. The other two systems are less desirable since they are confusing, but still in common usage. The designations A and B are completely arbitrary. The first of these (A left, B right) is based upon older IUPAC recommendations and frequently used in Europe. The last set (main group elements A, transition elements B) was in common use in America.
IUPAC, European, and American Group labelling schemes
Group European American 1 IA IA 2 IIA IIA 3 IIIA IIIB 4 IVA IVB 5 VA VB 6 VIA VIB 7 VIIA VIIB 8 VIIIA VIIIB 9 VIIIA VIIIB 10 VIIIA VIIIB 11 IB IB 12 IIB IIB 13 IIIB IIIA 14 IVB IVA 15 VB VA 16 VIB VIA 17 VIIB VIIA 18 VIIIB VIIIA
|
private |
|
private |
|
staticprivate |
|
static |
|
private |
|
friend |