BALL
1.5.0
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#include <BALL/KERNEL/PTE.h>
Public Member Functions | |
Constructors and Destructors. | |
Element () | |
Element (const Element &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 | ~Element () |
virtual void | clear () |
Assignment | |
Element & | operator= (const Element &element) |
Inspectors and Mutators | |
void | setName (const String &name) |
const String & | getName () const |
void | setSymbol (const String &symbol) |
const String & | getSymbol () const |
void | setGroup (Group group) |
Group | getGroup () const |
void | setPeriod (Period period) |
Period | getPeriod () const |
void | setAtomicNumber (AtomicNumber atomic_number) |
AtomicNumber | getAtomicNumber () const |
void | setAtomicWeight (float atomic_weight) |
float | getAtomicWeight () const |
void | setAtomicRadius (float atomic_radius) |
float | getAtomicRadius () const |
void | setCovalentRadius (float covalent_radius) |
float | getCovalentRadius () const |
void | setVanDerWaalsRadius (float van_der_waals_radius) |
float | getVanDerWaalsRadius () const |
void | setElectronegativity (float electronegativity) |
float | getElectronegativity () const |
Predicates | |
static Element | UNKNOWN |
bool | isUnknown () const |
bool | isMetal () const |
Operators | |
bool | operator== (const Element &element) const |
bool | operator!= (const Element &element) const |
bool | operator< (const Element &element) const |
bool | operator<= (const Element &element) const |
bool | operator>= (const Element &element) const |
bool | operator> (const Element &element) const |
BALL_EXPORT friend std::ostream & | operator<< (std::ostream &s, const Element &element) |
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 Element & | element | ) |
Constructor
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
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virtual |
Destructor
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virtual |
Clear method. The instance is set to the default values (= UNKNOWN element).
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.
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.
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 |
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 |
Equality operator. Tests if the atomic number of two elements are equal.
element | the Element to compare with |
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 |
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) |
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friend |