Open Babel
3.0
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#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 |
Functions relating to elements.