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Name Nihonium, Moscovium, Tennessine, and Oganesson.
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johnmay committed Jun 9, 2016
1 parent 40eea14 commit 93775bc
Showing 1 changed file with 147 additions and 60 deletions.
207 changes: 147 additions & 60 deletions base/core/src/main/java/org/openscience/cdk/config/Elements.java
Expand Up @@ -35,87 +35,166 @@
* 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),
@Deprecated
Ununtrium(113, "Uut", 0, 0, null, null, null),
Nihonium(113, "Nh", 0, 0, null, null, null),
Flerovium(114, "Fl", 0, 0, null, null, null),
@Deprecated
Ununpentium(115, "Uup", 0, 0, null, null, null),
Moscovium(115, "Mc", 0, 0, null, null, null),
Livermorium(116, "Lv", 0, 0, null, null, null),
@Deprecated
Ununseptium(117, "Uus", 0, 0, null, null, null),
Tennessine(117, "Ts", 0, 0, null, null, null),
@Deprecated
Ununoctium(118, "Uuo", 0, 0, null, null, null),
Oganesson(118, "Og", 0, 0, null, null, null);

/**
* Atomic number, periodic table period and group.
*/
private final int number, period, group;
private final int number, period, group;

/**
* The symbol of the element.
*/
private final String symbol;
private final String symbol;

/**
* Covalent radius (<i>r<sub>cov</sub></i>), van der Waals radius
* Covalent radius (<i>r<sub>cov</sub></i>),
* van der Waals radius
* (<i>r<sub>w</sub></i>) and Pauling electronegativity.
*/
private final Double rCov, rW, electronegativity;
private final Double rCov, rW, electronegativity;

/**
* An {@link IElement} instance of this element.
*/
private final IElement instance;
private final IElement instance;

/**
* Lookup elements by atomic number.
*/
static final Elements[] NUMER_MAP = new Elements[119];
static final Elements[] NUMER_MAP = new Elements[119];

/**
* Lookup elements by symbol / name.
Expand All @@ -126,8 +205,10 @@ public enum Elements {
// index elements
for (final Elements e : values()) {
NUMER_MAP[e.number] = e;
SYMBOL_MAP.put(e.symbol.toLowerCase(Locale.ENGLISH), e);
SYMBOL_MAP.put(e.name().toLowerCase(Locale.ENGLISH), e);
SYMBOL_MAP.put(e.symbol.toLowerCase(Locale.ENGLISH),
e);
SYMBOL_MAP.put(e.name().toLowerCase(Locale.ENGLISH),
e);
}

// recently named elements
Expand All @@ -140,6 +221,12 @@ public enum Elements {
SYMBOL_MAP.put("uuh", Livermorium); // 2012
SYMBOL_MAP.put("ununhexium", Livermorium);

// 2016
SYMBOL_MAP.put("uut", Nihonium);
SYMBOL_MAP.put("uup", Moscovium);
SYMBOL_MAP.put("uus", Tennessine);
SYMBOL_MAP.put("uuo", Oganesson);

// alternative spellings
SYMBOL_MAP.put("sulphur", Sulfur);
SYMBOL_MAP.put("cesium", Caesium);
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