Open Babel  3.0
Namespaces | Functions | Variables
elements.h File Reference
#include <openbabel/babelconfig.h>

Go to the source code of this file.

Namespaces

 OpenBabel
 
 OpenBabel::OBElements
 

Functions

const char * GetSymbol (unsigned int atomic_number)
 
const char * GetName (unsigned int atomic_number)
 
double GetMass (unsigned int atomic_number)
 
double GetExactMass (unsigned int atomic_number, unsigned int isotope=0)
 
unsigned int GetAtomicNum (const char *ptr)
 
double GetAllredRochowElectroNeg (unsigned int atomic_number)
 
double GetCovalentRad (unsigned int atomic_number)
 
double GetVdwRad (unsigned int atomic_number)
 
double GetElectronAffinity (unsigned int atomic_number)
 
double GetIonization (unsigned int atomic_number)
 
unsigned int GetMaxBonds (unsigned int atomic_number)
 
double GetElectroNeg (unsigned int atomic_number)
 
void GetRGB (unsigned int atomic_number, double *r, double *g, double *b)
 

Variables

const unsigned int Hydrogen = 1
 
const unsigned int Helium = 2
 
const unsigned int Lithium = 3
 
const unsigned int Beryllium = 4
 
const unsigned int Boron = 5
 
const unsigned int Carbon = 6
 
const unsigned int Nitrogen = 7
 
const unsigned int Oxygen = 8
 
const unsigned int Fluorine = 9
 
const unsigned int Neon = 10
 
const unsigned int Sodium = 11
 
const unsigned int Magnesium = 12
 
const unsigned int Aluminium = 13
 
const unsigned int Silicon = 14
 
const unsigned int Phosphorus = 15
 
const unsigned int Sulfur = 16
 
const unsigned int Chlorine = 17
 
const unsigned int Argon = 18
 
const unsigned int Potassium = 19
 
const unsigned int Calcium = 20
 
const unsigned int Scandium = 21
 
const unsigned int Titanium = 22
 
const unsigned int Vanadium = 23
 
const unsigned int Chromium = 24
 
const unsigned int Manganese = 25
 
const unsigned int Iron = 26
 
const unsigned int Cobalt = 27
 
const unsigned int Nickel = 28
 
const unsigned int Copper = 29
 
const unsigned int Zinc = 30
 
const unsigned int Gallium = 31
 
const unsigned int Germanium = 32
 
const unsigned int Arsenic = 33
 
const unsigned int Selenium = 34
 
const unsigned int Bromine = 35
 
const unsigned int Krypton = 36
 
const unsigned int Rubidium = 37
 
const unsigned int Strontium = 38
 
const unsigned int Yttrium = 39
 
const unsigned int Zirconium = 40
 
const unsigned int Niobium = 41
 
const unsigned int Molybdenum = 42
 
const unsigned int Technetium = 43
 
const unsigned int Ruthenium = 44
 
const unsigned int Rhodium = 45
 
const unsigned int Palladium = 46
 
const unsigned int Silver = 47
 
const unsigned int Cadmium = 48
 
const unsigned int Indium = 49
 
const unsigned int Tin = 50
 
const unsigned int Antimony = 51
 
const unsigned int Tellurium = 52
 
const unsigned int Iodine = 53
 
const unsigned int Xenon = 54
 
const unsigned int Caesium = 55
 
const unsigned int Barium = 56
 
const unsigned int Lanthanum = 57
 
const unsigned int Cerium = 58
 
const unsigned int Praseodymium = 59
 
const unsigned int Neodymium = 60
 
const unsigned int Promethium = 61
 
const unsigned int Samarium = 62
 
const unsigned int Europium = 63
 
const unsigned int Gadolinium = 64
 
const unsigned int Terbium = 65
 
const unsigned int Dysprosium = 66
 
const unsigned int Holmium = 67
 
const unsigned int Erbium = 68
 
const unsigned int Thulium = 69
 
const unsigned int Ytterbium = 70
 
const unsigned int Lutetium = 71
 
const unsigned int Hafnium = 72
 
const unsigned int Tantalum = 73
 
const unsigned int Tungsten = 74
 
const unsigned int Rhenium = 75
 
const unsigned int Osmium = 76
 
const unsigned int Iridium = 77
 
const unsigned int Platinum = 78
 
const unsigned int Gold = 79
 
const unsigned int Mercury = 80
 
const unsigned int Thallium = 81
 
const unsigned int Lead = 82
 
const unsigned int Bismuth = 83
 
const unsigned int Polonium = 84
 
const unsigned int Astatine = 85
 
const unsigned int Radon = 86
 
const unsigned int Francium = 87
 
const unsigned int Radium = 88
 
const unsigned int Actinium = 89
 
const unsigned int Thorium = 90
 
const unsigned int Protactinium = 91
 
const unsigned int Uranium = 92
 
const unsigned int Neptunium = 93
 
const unsigned int Plutonium = 94
 
const unsigned int Americium = 95
 
const unsigned int Curium = 96
 
const unsigned int Berkelium = 97
 
const unsigned int Californium = 98
 
const unsigned int Einsteinium = 99
 
const unsigned int Fermium = 100
 
const unsigned int Mendelevium = 101
 
const unsigned int Nobelium = 102
 
const unsigned int Lawrencium = 103
 
const unsigned int Rutherfordium = 104
 
const unsigned int Dubnium = 105
 
const unsigned int Seaborgium = 106
 
const unsigned int Bohrium = 107
 
const unsigned int Hassium = 108
 
const unsigned int Meitnerium = 109
 
const unsigned int Darmstadtium = 110
 
const unsigned int Roentgenium = 111
 
const unsigned int Copernicium = 112
 
const unsigned int Nihonium = 113
 
const unsigned int Flerovium = 114
 
const unsigned int Moscovium = 115
 
const unsigned int Livermorium = 116
 
const unsigned int Tennessine = 117
 
const unsigned int Oganesson = 118
 

Detailed Description

Functions relating to elements.