diff --git a/base/core/src/main/java/org/openscience/cdk/config/Elements.java b/base/core/src/main/java/org/openscience/cdk/config/Elements.java index 7aa29c599f1..9f7ac63ff2f 100644 --- a/base/core/src/main/java/org/openscience/cdk/config/Elements.java +++ b/base/core/src/main/java/org/openscience/cdk/config/Elements.java @@ -35,61 +35,131 @@ * Repository, version 3. This enumeration is auto-generated with utilities * found in the 'cdk-build-utils' project. * - * @author egonw - * @author john may - * @cdk.module core + * @author egonw + * @author john may + * @cdk.module core * @cdk.githash */ public enum Elements { - Unknown(0, "", 0, 0, null, 0.00, null), Hydrogen(1, "H", 1, 1, 0.37, 1.20, 2.20), Helium(2, "He", 1, 18, 0.32, - 1.40, null), Lithium(3, "Li", 2, 1, 1.34, 2.20, 0.98), Beryllium(4, "Be", 2, 2, 0.90, 1.90, 1.57), Boron(5, - "B", 2, 13, 0.82, 1.80, 2.04), Carbon(6, "C", 2, 14, 0.77, 1.70, 2.55), Nitrogen(7, "N", 2, 15, 0.75, 1.60, - 3.04), Oxygen(8, "O", 2, 16, 0.73, 1.55, 3.44), Fluorine(9, "F", 2, 17, 0.71, 1.50, 3.98), Neon(10, "Ne", - 2, 18, 0.69, 1.54, null), Sodium(11, "Na", 3, 1, 1.54, 2.40, 0.93), Magnesium(12, "Mg", 3, 2, 1.30, 2.20, - 1.31), Aluminium(13, "Al", 3, 13, 1.18, 2.10, 1.61), Silicon(14, "Si", 3, 14, 1.11, 2.10, 1.90), Phosphorus( - 15, "P", 3, 15, 1.06, 1.95, 2.19), Sulfur(16, "S", 3, 16, 1.02, 1.80, 2.58), Chlorine(17, "Cl", 3, 17, - 0.99, 1.80, 3.16), Argon(18, "Ar", 3, 18, 0.97, 1.88, null), Potassium(19, "K", 4, 1, 1.96, 2.80, 0.82), Calcium( - 20, "Ca", 4, 2, 1.74, 2.40, 1.00), Scandium(21, "Sc", 4, 3, 1.44, 2.30, 1.36), Titanium(22, "Ti", 4, 4, - 1.36, 2.15, 1.54), Vanadium(23, "V", 4, 5, 1.25, 2.05, 1.63), Chromium(24, "Cr", 4, 6, 1.27, 2.05, 1.66), Manganese( - 25, "Mn", 4, 7, 1.39, 2.05, 1.55), Iron(26, "Fe", 4, 8, 1.25, 2.05, 1.83), Cobalt(27, "Co", 4, 9, 1.26, - null, 1.88), Nickel(28, "Ni", 4, 10, 1.21, null, 1.91), Copper(29, "Cu", 4, 11, 1.38, null, 1.90), Zinc(30, - "Zn", 4, 12, 1.31, 2.10, 1.65), Gallium(31, "Ga", 4, 13, 1.26, 2.10, 1.81), Germanium(32, "Ge", 4, 14, - 1.22, 2.10, 2.01), Arsenic(33, "As", 4, 15, 1.19, 2.05, 2.18), Selenium(34, "Se", 4, 16, 1.16, 1.90, 2.55), Bromine( - 35, "Br", 4, 17, 1.14, 1.90, 2.96), Krypton(36, "Kr", 4, 18, 1.10, 2.02, 3.00), Rubidium(37, "Rb", 5, 1, - 2.11, 2.90, 0.82), Strontium(38, "Sr", 5, 2, 1.92, 2.55, 0.95), Yttrium(39, "Y", 5, 3, 1.62, 2.40, 1.22), Zirconium( - 40, "Zr", 5, 4, 1.48, 2.30, 1.33), Niobium(41, "Nb", 5, 5, 1.37, 2.15, 1.60), Molybdenum(42, "Mo", 5, 6, - 1.45, 2.10, 2.16), Technetium(43, "Tc", 5, 7, 1.56, 2.05, 1.90), Ruthenium(44, "Ru", 5, 8, 1.26, 2.05, 2.20), Rhodium( - 45, "Rh", 5, 9, 1.35, null, 2.28), Palladium(46, "Pd", 5, 10, 1.31, 2.05, 2.20), Silver(47, "Ag", 5, 11, - 1.53, 2.10, 1.93), Cadmium(48, "Cd", 5, 12, 1.48, 2.20, 1.69), Indium(49, "In", 5, 13, 1.44, 2.20, 1.78), Tin( - 50, "Sn", 5, 14, 1.41, 2.25, 1.96), Antimony(51, "Sb", 5, 15, 1.38, 2.20, 2.05), Tellurium(52, "Te", 5, 16, - 1.35, 2.10, 2.10), Iodine(53, "I", 5, 17, 1.33, 2.10, 2.66), Xenon(54, "Xe", 5, 18, 1.30, 2.16, 2.60), Caesium( - 55, "Cs", 6, 1, 2.25, 3.00, 0.79), Barium(56, "Ba", 6, 2, 1.98, 2.70, 0.89), Lanthanum(57, "La", 6, 3, - 1.69, 2.50, 1.10), Cerium(58, "Ce", 6, 0, null, 2.48, 1.12), Praseodymium(59, "Pr", 6, 0, null, 2.47, 1.13), Neodymium( - 60, "Nd", 6, 0, null, 2.45, 1.14), Promethium(61, "Pm", 6, 0, null, 2.43, null), Samarium(62, "Sm", 6, 0, - null, 2.42, 1.17), Europium(63, "Eu", 6, 0, 2.40, 2.40, null), Gadolinium(64, "Gd", 6, 0, null, 2.38, 1.20), Terbium( - 65, "Tb", 6, 0, null, 2.37, null), Dysprosium(66, "Dy", 6, 0, null, 2.35, 1.22), Holmium(67, "Ho", 6, 0, - null, 2.33, 1.23), Erbium(68, "Er", 6, 0, null, 2.32, 1.24), Thulium(69, "Tm", 6, 0, null, 2.30, 1.25), Ytterbium( - 70, "Yb", 6, 0, null, 2.28, null), Lutetium(71, "Lu", 6, 0, 1.60, 2.27, 1.27), Hafnium(72, "Hf", 6, 4, - 1.50, 2.25, 1.30), Tantalum(73, "Ta", 6, 5, 1.38, 2.20, 1.50), Tungsten(74, "W", 6, 6, 1.46, 2.10, 2.36), Rhenium( - 75, "Re", 6, 7, 1.59, 2.05, 1.90), Osmium(76, "Os", 6, 8, 1.28, null, 2.20), Iridium(77, "Ir", 6, 9, 1.37, - null, 2.20), Platinum(78, "Pt", 6, 10, 1.28, 2.05, 2.28), Gold(79, "Au", 6, 11, 1.44, 2.10, 2.54), Mercury( - 80, "Hg", 6, 12, 1.49, 2.05, 2.00), Thallium(81, "Tl", 6, 13, 1.48, 2.20, 1.62), Lead(82, "Pb", 6, 14, - 1.47, 2.30, 2.33), Bismuth(83, "Bi", 6, 15, 1.46, 2.30, 2.02), Polonium(84, "Po", 6, 16, 1.46, null, 2.00), Astatine( - 85, "At", 6, 17, null, null, 2.20), Radon(86, "Rn", 6, 18, 1.45, null, null), Francium(87, "Fr", 7, 1, - null, null, 0.70), Radium(88, "Ra", 7, 2, null, null, 0.90), Actinium(89, "Ac", 7, 3, null, null, 1.10), Thorium( - 90, "Th", 7, 0, null, 2.40, 1.30), Protactinium(91, "Pa", 7, 0, null, null, 1.50), Uranium(92, "U", 7, 0, - null, 2.30, 1.38), Neptunium(93, "Np", 7, 0, null, null, 1.36), Plutonium(94, "Pu", 7, 0, null, null, 1.28), Americium( - 95, "Am", 7, 0, null, null, 1.30), Curium(96, "Cm", 7, 0, null, null, 1.30), Berkelium(97, "Bk", 7, 0, - null, null, 1.30), Californium(98, "Cf", 7, 0, null, null, 1.30), Einsteinium(99, "Es", 7, 0, null, null, - 1.30), Fermium(100, "Fm", 7, 0, null, null, 1.30), Mendelevium(101, "Md", 7, 0, null, null, 1.30), Nobelium( - 102, "No", 7, 0, null, null, 1.30), Lawrencium(103, "Lr", 7, 0, null, null, null), Rutherfordium(104, "Rf", - 7, 4, null, null, null), Dubnium(105, "Db", 7, 5, null, null, null), Seaborgium(106, "Sg", 7, 6, null, - null, null), Bohrium(107, "Bh", 7, 7, null, null, null), Hassium(108, "Hs", 7, 8, null, null, null), Meitnerium( - 109, "Mt", 7, 9, null, null, null), Darmstadtium(110, "Ds", 7, 10, null, null, null), Roentgenium(111, - "Rg", 7, 11, null, null, null), Copernicium(112, "Cn", 7, 12, null, null, null), Ununtrium(113, "Uut", 0, - 0, null, null, null), Flerovium(114, "Fl", 0, 0, null, null, null), Ununpentium(115, "Uup", 0, 0, null, - null, null), Livermorium(116, "Lv", 0, 0, null, null, null), Ununseptium(117, "Uus", 0, 0, null, null, null), Ununoctium( - 118, "Uuo", 0, 0, null, null, null); + Unknown(0, "", 0, 0, null, 0.00, null), + Hydrogen(1, "H", 1, 1, 0.37, 1.20, 2.20), + Helium(2, "He", 1, 18, 0.32, 1.40, null), + Lithium(3, "Li", 2, 1, 1.34, 2.20, 0.98), + Beryllium(4, "Be", 2, 2, 0.90, 1.90, 1.57), + Boron(5, "B", 2, 13, 0.82, 1.80, 2.04), + Carbon(6, "C", 2, 14, 0.77, 1.70, 2.55), + Nitrogen(7, "N", 2, 15, 0.75, 1.60, 3.04), + Oxygen(8, "O", 2, 16, 0.73, 1.55, 3.44), + Fluorine(9, "F", 2, 17, 0.71, 1.50, 3.98), + Neon(10, "Ne", 2, 18, 0.69, 1.54, null), + Sodium(11, "Na", 3, 1, 1.54, 2.40, 0.93), + Magnesium(12, "Mg", 3, 2, 1.30, 2.20, 1.31), + Aluminium(13, "Al", 3, 13, 1.18, 2.10, 1.61), + Silicon(14, "Si", 3, 14, 1.11, 2.10, 1.90), + Phosphorus(15, "P", 3, 15, 1.06, 1.95, 2.19), + Sulfur(16, "S", 3, 16, 1.02, 1.80, 2.58), + Chlorine(17, "Cl", 3, 17, 0.99, 1.80, 3.16), + Argon(18, "Ar", 3, 18, 0.97, 1.88, null), + Potassium(19, "K", 4, 1, 1.96, 2.80, 0.82), + Calcium(20, "Ca", 4, 2, 1.74, 2.40, 1.00), + Scandium(21, "Sc", 4, 3, 1.44, 2.30, 1.36), + Titanium(22, "Ti", 4, 4, 1.36, 2.15, 1.54), + Vanadium(23, "V", 4, 5, 1.25, 2.05, 1.63), + Chromium(24, "Cr", 4, 6, 1.27, 2.05, 1.66), + Manganese(25, "Mn", 4, 7, 1.39, 2.05, 1.55), + Iron(26, "Fe", 4, 8, 1.25, 2.05, 1.83), + Cobalt(27, "Co", 4, 9, 1.26, null, 1.88), + Nickel(28, "Ni", 4, 10, 1.21, null, 1.91), + Copper(29, "Cu", 4, 11, 1.38, null, 1.90), + Zinc(30, "Zn", 4, 12, 1.31, 2.10, 1.65), + Gallium(31, "Ga", 4, 13, 1.26, 2.10, 1.81), + Germanium(32, "Ge", 4, 14, 1.22, 2.10, 2.01), + Arsenic(33, "As", 4, 15, 1.19, 2.05, 2.18), + Selenium(34, "Se", 4, 16, 1.16, 1.90, 2.55), + Bromine(35, "Br", 4, 17, 1.14, 1.90, 2.96), + Krypton(36, "Kr", 4, 18, 1.10, 2.02, 3.00), + Rubidium(37, "Rb", 5, 1, 2.11, 2.90, 0.82), + Strontium(38, "Sr", 5, 2, 1.92, 2.55, 0.95), + Yttrium(39, "Y", 5, 3, 1.62, 2.40, 1.22), + Zirconium(40, "Zr", 5, 4, 1.48, 2.30, 1.33), + Niobium(41, "Nb", 5, 5, 1.37, 2.15, 1.60), + Molybdenum(42, "Mo", 5, 6, 1.45, 2.10, 2.16), + Technetium(43, "Tc", 5, 7, 1.56, 2.05, 1.90), + Ruthenium(44, "Ru", 5, 8, 1.26, 2.05, 2.20), + Rhodium(45, "Rh", 5, 9, 1.35, null, 2.28), + Palladium(46, "Pd", 5, 10, 1.31, 2.05, 2.20), + Silver(47, "Ag", 5, 11, 1.53, 2.10, 1.93), + Cadmium(48, "Cd", 5, 12, 1.48, 2.20, 1.69), + Indium(49, "In", 5, 13, 1.44, 2.20, 1.78), + Tin(50, "Sn", 5, 14, 1.41, 2.25, 1.96), + Antimony(51, "Sb", 5, 15, 1.38, 2.20, 2.05), + Tellurium(52, "Te", 5, 16, 1.35, 2.10, 2.10), + Iodine(53, "I", 5, 17, 1.33, 2.10, 2.66), + Xenon(54, "Xe", 5, 18, 1.30, 2.16, 2.60), + Caesium(55, "Cs", 6, 1, 2.25, 3.00, 0.79), + Barium(56, "Ba", 6, 2, 1.98, 2.70, 0.89), + Lanthanum(57, "La", 6, 3, 1.69, 2.50, 1.10), + Cerium(58, "Ce", 6, 0, null, 2.48, 1.12), + Praseodymium(59, "Pr", 6, 0, null, 2.47, 1.13), + Neodymium(60, "Nd", 6, 0, null, 2.45, 1.14), + Promethium(61, "Pm", 6, 0, null, 2.43, null), + Samarium(62, "Sm", 6, 0, null, 2.42, 1.17), + Europium(63, "Eu", 6, 0, 2.40, 2.40, null), + Gadolinium(64, "Gd", 6, 0, null, 2.38, 1.20), + Terbium(65, "Tb", 6, 0, null, 2.37, null), + Dysprosium(66, "Dy", 6, 0, null, 2.35, 1.22), + Holmium(67, "Ho", 6, 0, null, 2.33, 1.23), + Erbium(68, "Er", 6, 0, null, 2.32, 1.24), + Thulium(69, "Tm", 6, 0, null, 2.30, 1.25), + Ytterbium(70, "Yb", 6, 0, null, 2.28, null), + Lutetium(71, "Lu", 6, 0, 1.60, 2.27, 1.27), + Hafnium(72, "Hf", 6, 4, 1.50, 2.25, 1.30), + Tantalum(73, "Ta", 6, 5, 1.38, 2.20, 1.50), + Tungsten(74, "W", 6, 6, 1.46, 2.10, 2.36), + Rhenium(75, "Re", 6, 7, 1.59, 2.05, 1.90), + Osmium(76, "Os", 6, 8, 1.28, null, 2.20), + Iridium(77, "Ir", 6, 9, 1.37, null, 2.20), + Platinum(78, "Pt", 6, 10, 1.28, 2.05, 2.28), + Gold(79, "Au", 6, 11, 1.44, 2.10, 2.54), + Mercury(80, "Hg", 6, 12, 1.49, 2.05, 2.00), + Thallium(81, "Tl", 6, 13, 1.48, 2.20, 1.62), + Lead(82, "Pb", 6, 14, 1.47, 2.30, 2.33), + Bismuth(83, "Bi", 6, 15, 1.46, 2.30, 2.02), + Polonium(84, "Po", 6, 16, 1.46, null, 2.00), + Astatine(85, "At", 6, 17, null, null, 2.20), + Radon(86, "Rn", 6, 18, 1.45, null, null), + Francium(87, "Fr", 7, 1, null, null, 0.70), + Radium(88, "Ra", 7, 2, null, null, 0.90), + Actinium(89, "Ac", 7, 3, null, null, 1.10), + Thorium(90, "Th", 7, 0, null, 2.40, 1.30), + Protactinium(91, "Pa", 7, 0, null, null, 1.50), + Uranium(92, "U", 7, 0, null, 2.30, 1.38), + Neptunium(93, "Np", 7, 0, null, null, 1.36), + Plutonium(94, "Pu", 7, 0, null, null, 1.28), + Americium(95, "Am", 7, 0, null, null, 1.30), + Curium(96, "Cm", 7, 0, null, null, 1.30), + Berkelium(97, "Bk", 7, 0, null, null, 1.30), + Californium(98, "Cf", 7, 0, null, null, 1.30), + Einsteinium(99, "Es", 7, 0, null, null, 1.30), + Fermium(100, "Fm", 7, 0, null, null, 1.30), + Mendelevium(101, "Md", 7, 0, null, null, 1.30), + Nobelium(102, "No", 7, 0, null, null, 1.30), + Lawrencium(103, "Lr", 7, 0, null, null, null), + Rutherfordium(104, "Rf", 7, 4, null, null, null), + Dubnium(105, "Db", 7, 5, null, null, null), + Seaborgium(106, "Sg", 7, 6, null, null, null), + Bohrium(107, "Bh", 7, 7, null, null, null), + Hassium(108, "Hs", 7, 8, null, null, null), + Meitnerium(109, "Mt", 7, 9, null, null, null), + Darmstadtium(110, "Ds", 7, 10, null, null, null), + Roentgenium(111, "Rg", 7, 11, null, null, null), + Copernicium(112, "Cn", 7, 12, null, null, null), + Ununtrium(113, "Uut", 0, 0, null, null, null), + Flerovium(114, "Fl", 0, 0, null, null, null), + Ununpentium(115, "Uup", 0, 0, null, null, null), + Livermorium(116, "Lv", 0, 0, null, null, null), + Ununseptium(117, "Uus", 0, 0, null, null, null), + Ununoctium(118, "Uuo", 0, 0, null, null, null); /** * Atomic number, periodic table period and group.