7#ifndef BALL_KERNEL_PTE_H
8#define BALL_KERNEL_PTE_H
10#ifndef BALL_COMMON_CREATE_H
14#ifndef BALL_DATATYPE_STRING_H
18#ifndef BALL_CONCEPT_PROCESSOR_H
22#define BALL_ELEMENT_NAME_DEFAULT "Unknown"
23#define BALL_ELEMENT_SYMBOL_DEFAULT "?"
24#define BALL_ELEMENT_GROUP_DEFAULT 0
25#define BALL_ELEMENT_PERIOD_DEFAULT 0
26#define BALL_ELEMENT_ATOMICNUMBER_DEFAULT 0
27#define BALL_ELEMENT_ATOMICWEIGHT_DEFAULT 0
28#define BALL_ELEMENT_ATOMICRADIUS_DEFAULT 0
29#define BALL_ELEMENT_COVALENTRADIUS_DEFAULT 0
30#define BALL_ELEMENT_VANDERWAALSRADIUS_DEFAULT 0
31#define BALL_ELEMENT_ELECTRONEGATIVITY_DEFAULT 0
32#define BALL_ELEMENT_IS_METAL_DEFAULT false
131 MANGANESE, MANGAN = MANGANESE,
134 MERCURY, HYDRARGYRUM = MERCURY, MERCURIUM = MERCURY,
150 POTASSIUM, KALIUM = POTASSIUM,
164 SILICON, SILICIUM = SILICON,
165 SILVER, ARGENTUM = SILVER,
166 SODIUM, NATRIUM = SODIUM,
168 SULPHUR, SULFUR = SULPHUR,
336 float covalent_radius,
337 float van_der_waals_radius,
339 float electronegativity);
618 float atomic_weight_;
622 float atomic_radius_;
626 float covalent_radius_;
630 float van_der_waals_radius_;
638 float electronegativity_;
675 virtual
void clear();
711 bool operator == (const
PTE_& pte) const;
786 static Element* atomic_number_to_element_[];
797# ifndef BALL_NO_INLINE_FUNCTIONS
798# include <BALL/KERNEL/PTE.iC>
#define BALL_CREATE(name)
BALL_EXPORT std::ostream & operator<<(std::ostream &os, const Exception::GeneralException &e)
BALL_EXPORT bool operator<(const String &s1, const String &s2)
BALL_EXPORT bool operator>(const String &s1, const String &s2)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
BALL_EXPORT bool operator>=(const String &s1, const String &s2)
BALL_EXPORT bool operator<=(const String &s1, const String &s2)
void setName(const String &name)
float getAtomicRadius() const
void setAtomicRadius(float atomic_radius)
void setPeriod(Period period)
const String & getSymbol() const
void setAtomicWeight(float atomic_weight)
const String & getName() const
AtomicNumber getAtomicNumber() const
void setCovalentRadius(float covalent_radius)
void setGroup(Group group)
void setElectronegativity(float electronegativity)
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)
float getVanDerWaalsRadius() const
float getAtomicWeight() const
Element(const Element &element)
void setSymbol(const String &symbol)
float getElectronegativity() const
void setAtomicNumber(AtomicNumber atomic_number)
void setVanDerWaalsRadius(float van_der_waals_radius)
float getCovalentRadius() const