chemistry_rails 0.1.0
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- checksums.yaml +7 -0
- data/lib/chemistry_rails.rb +202 -0
- metadata +44 -0
checksums.yaml
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metadata.gz: 4a79081d178f3e7b710614a8e73e1e4f62df6ad9
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data.tar.gz: 101cd7f76d9508bb492d80efce22b8eb3cd84db6
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SHA512:
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metadata.gz: 363fabff21cd9fd3ba6a1497eb4f12dacbd7b2fc3f8e3cc7c8bcc61855f55c1daefb08d4de5e62f00812ca0d1e29f4d386c4049e03c19f389d46a32510cd1683
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data.tar.gz: facee64d81a62ff78d10db5e788ad95ec00a56563255be4184055b314e4756e6cc711058cbe999ff92c32d306a900a4cf3286f4fd5a8b4e5e8f63d44514ae51e
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module ChemistryRails
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ELEMENT_CATEGORIES = ['Alkali Metal', 'Alkaline Earth', 'Transition Metal', 'Basic Metal', 'Semimetal', 'Nonmetal', 'Halogen', 'Noble gas', 'Lanthanide', 'Actinide']
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ELEMENTS = [
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nil,
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{ short: 'H', long: 'Hydrogen', mass: 1.0079, category: 5 },
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{ short: 'He', long: 'Helium', mass: 4.00260, category: 7 },
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{ short: 'Li', long: 'Lithium', mass: 6.941, category: 0 },
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{ short: 'Be', long: 'Beryllium', mass: 9.01218, category: 1 },
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{ short: 'B', long: 'Boron', mass: 10.811, category: 4 },
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{ short: 'C', long: 'Carbon', mass: 12.011, category: 5 },
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{ short: 'N', long: 'Nitrogen', mass: 14.00674, category: 5 },
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{ short: 'O', long: 'Oxygen', mass: 15.9994, category: 5 },
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{ short: 'F', long: 'Fluorine', mass: 18.998403, category: 6 },
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{ short: 'Ne', long: 'Neon', mass: 20.1797, category: 7 }, #10
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{ short: 'Na', long: 'Sodium', mass: 22.989768, category: 0 },
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{ short: 'Mg', long: 'Magnesium', mass: 24.305, category: 1 },
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{ short: 'Al', long: 'Aluminium', mass: 26.981539, category: 3 },
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{ short: 'Si', long: 'Silicon', mass: 28.0855, category: 4 },
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{ short: 'P', long: 'Phosphorus', mass: 30.973762, category: 5 },
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{ short: 'S', long: 'Sulfur', mass: 32.066, category: 5 },
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{ short: 'Cl', long: 'Chlorine', mass: 35.4527, category: 6 },
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{ short: 'Ar', long: 'Argon', mass: 39.948, category: 7 },
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{ short: 'K', long: 'Potassium', mass: 39.0983, category: 0 },
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{ short: 'Ca', long: 'Calcium', mass: 40.078, category: 1 }, #20
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{ short: 'Sc', long: 'Scandium', mass: 44.95591, category: 2 },
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{ short: 'Ti', long: 'Titanium', mass: 47.88, category: 2 },
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{ short: 'V', long: 'Venadium', mass: 50.9415, category: 2 },
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{ short: 'Cr', long: 'Chromium', mass: 51.9961, category: 2 },
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{ short: 'Mn', long: 'Manganese', mass: 54.938, category: 2 },
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{ short: 'Fe', long: 'Iron', mass: 54.847, category: 2 },
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{ short: 'Co', long: 'Cobalt', mass: 58.9332, category: 2 },
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{ short: 'Ni', long: 'Nickel', mass: 58.6934, category: 2 },
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{ short: 'Cu', long: 'Copper', mass: 63.546, category: 2 },
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{ short: 'Zn', long: 'Zinc', mass: 65.39, category: 2 }, #30
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{ short: 'Ga', long: 'Gallium', mass: 69.732, category: 3 },
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{ short: 'Ge', long: 'Germanium', mass: 72.64, category: 4 },
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{ short: 'As', long: 'Arsenic', mass: 74.92159, category: 4 },
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{ short: 'Se', long: 'Selenium', mass: 78.96, category: 5 },
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{ short: 'Br', long: 'Bromine', mass: 79.904, category: 6 },
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{ short: 'Kr', long: 'Krypton', mass: 83.80, category: 7 },
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{ short: 'Rb', long: 'Rubidium', mass: 85.4678, category: 0 },
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{ short: 'Sr', long: 'Strontium', mass: 87.62, category: 1 },
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{ short: 'Y', long: 'Yttrium', mass: 88.90585, category: 2 },
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{ short: 'Zr', long: 'Zirconium', mass: 91.224, category: 2 }, #40
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{ short: 'Nb', long: 'Niobium', mass: 92.90638, category: 2 },
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{ short: 'Mo', long: 'Molybdenum', mass: 95.94, category: 2 },
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{ short: 'Tc', long: 'Technetium', mass: 98.9072, category: 2 },
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{ short: 'Ru', long: 'Ruthenium', mass: 101.07, category: 2 },
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{ short: 'Rh', long: 'Rhodium', mass: 102.9055, category: 2 },
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{ short: 'Pd', long: 'Palladium', mass: 106.42, category: 2 },
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{ short: 'Ag', long: 'Silver', mass: 107.8682, category: 2 },
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{ short: 'Cd', long: 'Cadmium', mass: 112.411, category: 2 },
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{ short: 'In', long: 'Indium', mass: 114.818, category: 3 },
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{ short: 'Sn', long: 'Tin', mass: 118.71, category: 3 }, #50
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{ short: 'Sb', long: 'Antimony', mass: 121.760, category: 4 },
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{ short: 'Te', long: 'Tellurium', mass: 127.6, category: 4 },
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{ short: 'I', long: 'Iodine', mass: 126.90447, category: 6 },
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{ short: 'Xe', long: 'Xenon', mass: 131.29, category: 7 },
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{ short: 'Cs', long: 'Cesium', mass: 132.90543, category: 0 },
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{ short: 'Ba', long: 'Barium', mass: 137.327, category: 1 },
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{ short: 'La', long: 'Lanthanum', mass: 138.9055, category: 8 },
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{ short: 'Ce', long: 'Cerium', mass: 140.115, category: 8 },
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{ short: 'Pr', long: 'Praseodymium', mass: 140.90765, category: 8 },
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{ short: 'Nd', long: 'Neodymium', mass: 144.24, category: 8 }, #60
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{ short: 'Pm', long: 'Promethium', mass: 144.9127, category: 8 },
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{ short: 'Sm', long: 'Samarium', mass: 150.36, category: 8 },
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{ short: 'Eu', long: 'Europium', mass: 151.9655, category: 8 },
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{ short: 'Gd', long: 'Gadolinium', mass: 157.25, category: 8 },
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{ short: 'Tb', long: 'Terbium', mass: 158.92534, category: 8 },
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{ short: 'Dy', long: 'Dysprosium', mass: 162.50, category: 8 },
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{ short: 'Ho', long: 'Holmium', mass: 164.93032, category: 8 },
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{ short: 'Er', long: 'Erbium', mass: 167.26, category: 8 },
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{ short: 'Tm', long: 'Thulium', mass: 168.93421, category: 8 },
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{ short: 'Yb', long: 'Ytterbium', mass: 173.04, category: 8 }, #70
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{ short: 'Lu', long: 'Lutetium', mass: 174.967, category: 8 },
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{ short: 'Hf', long: 'Hafnium', mass: 178.49, category: 2 },
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{ short: 'Ta', long: 'Tantalum', mass: 180.9479, category: 2 },
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{ short: 'W', long: 'Tungsten', mass: 183.85, category: 2 },
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{ short: 'Re', long: 'Rhenium', mass: 186.207, category: 2 },
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{ short: 'Os', long: 'Osmium', mass: 190.23, category: 2 },
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{ short: 'Ir', long: 'Iridium', mass: 192.22, category: 2 },
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{ short: 'Pt', long: 'Platinum', mass: 195.08, category: 2 },
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{ short: 'Au', long: 'Gold', mass: 196.9665, category: 2 },
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{ short: 'Hg', long: 'Mercury', mass: 200.59, category: 2 }, #80
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{ short: 'Tl', long: 'Thallium', mass: 204.3833, category: 3 },
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{ short: 'Pb', long: 'Lead', mass: 204.3833, category: 3 },
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{ short: 'Bi', long: 'Bismuth', mass: 208.98037, category: 3 },
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{ short: 'Po', long: 'Polonium', mass: 208.9824, category: 4 },
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{ short: 'At', long: 'Astatine', mass: 209.9871, category: 6 },
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{ short: 'Rn', long: 'Radon', mass: 222.0176, category: 7 },
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{ short: 'Fr', long: 'Francium', mass: 223.0197, category: 0 },
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{ short: 'Ra', long: 'Radium', mass: 226.0254, category: 1 },
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{ short: 'Ac', long: 'Actinium', mass: 227.0278, category: 9 },
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{ short: 'Th', long: 'Thorium', mass: 232.0381, category: 9 }, #90
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{ short: 'Pa', long: 'Protactinium', mass: 231.03588, category: 9 },
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{ short: 'U', long: 'Uranium', mass: 238.0289, category: 9 },
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{ short: 'Np', long: 'Neptunium', mass: 237.0482, category: 9 },
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{ short: 'Pu', long: 'Plutonium', mass: 244.0642, category: 9 },
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{ short: 'Am', long: 'Americium', mass: 243.0614, category: 9 },
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{ short: 'Cm', long: 'Curium', mass: 247.0703, category: 9 },
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{ short: 'Bk', long: 'Berkelium', mass: 247.0703, category: 9 },
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{ short: 'Cf', long: 'Californium', mass: 251.0796, category: 9 },
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{ short: 'Es', long: 'Einsteinium', mass: 254, category: 9 },
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{ short: 'Fm', long: 'Fermium', mass: 257.0951, category: 9 }, #100
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{ short: 'Md', long: 'Mendelevium', mass: 258.1, category: 9 },
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{ short: 'No', long: 'Nobelium', mass: 259.1009, category: 9 },
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{ short: 'Lr', long: 'Lawrencium', mass: 262, category: 9 },
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{ short: 'Rf', long: 'Rutherfordium',mass: 261, category: 2 },
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{ short: 'Db', long: 'Dubnium', mass: 262, category: 2 },
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{ short: 'Sg', long: 'Seaborgium', mass: 266, category: 2 },
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{ short: 'Bh', long: 'Bohrium', mass: 264, category: 2 },
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{ short: 'Hs', long: 'Hassium', mass: 269, category: 2 },
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{ short: 'Mt', long: 'Meitnerium', mass: 268, category: 2 },
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{ short: 'Ds', long: 'Darmstadium', mass: 269, category: 2 }, #110
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{ short: 'Rg', long: 'Roentgenium', mass: 272, category: 2 },
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{ short: 'Cn', long: 'Copernicium', mass: 277, category: 2 },
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{ short: 'Uut',long: 'Ununtrium', mass: 286, category: 3 },
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{ short: 'Fl', long: 'Flerovium', mass: 289, category: 3 },
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{ short: 'Uup',long: 'Ununpentium', mass: 288, category: 3 },
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{ short: 'Lv', long: 'Livermorium', mass: 293, category: 3 },
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{ short: 'Uus',long: 'Ununseptium', mass: 294, category: 6 },
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{ short: 'Uuo',long: 'Ununoctium', mass: 294, category: 7 }, #118
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]
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class << self
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def elements(category = nil)
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category ? ELEMENTS.select {|e| e[:category] == category} : ELEMENTS
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end
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def element(short)
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ELEMENTS.select{|e| e && e[:short] == short}.first
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end
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def alkali_metals; elements(0); end
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def alkaline_earth; elements(1); end
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def transition_metals;elements(2); end
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def basic_metals; elements(3); end
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def semi_metals; elements(4); end
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def non_metals; elements(5); end
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def halogens; elements(6); end
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def noble_gases; elements(7); end
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def lanthanides; elements(8); end
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def actinides; elements(9); end
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end
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end
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module ChemistryRails
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class Railtie < Rails::Railtie
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initializer "chemistry_rails.active_record" do
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ActiveSupport.on_load :active_record do
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require 'chemistry_rails/orm/activerecord'
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end
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end
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##
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# Loads the locale files before the Rails application locales
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# letting the Rails application override the locale defaults
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config.before_configuration do
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I18n.load_path << File.join(File.dirname(__FILE__), "chemistry_rails", "locale", 'en.yml')
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end
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end
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end
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module ChemistryRails
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class Formula
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attr_accessor :formula, :elements
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def initialize(formula, options={})
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@formula = formula
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@options = options
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@elements = Hash[formula.scan(/([A-Z][a-z]{0,2})(\d*)/).map{|k,v| [k, v.blank? ? 1 : v.to_i]}]
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end
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def to_s; formula; end
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def empty?; formula.blank?; end
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def to_html
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elements.map { |el, i| "#{el}<sub>#{i > 1 ? i : ''}</sub>" }.join('').html_safe
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end
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def elemental_analysis(include_oxygen = false)
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mass = elements.map { |el, i| ChemistryRails.element(el)[:mass] * i }.sum
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Hash[
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elements.map { |el, i|
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[ el, (ChemistryRails.element(el)[:mass] * i / mass * 100).round(2) ]
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}
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]
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end
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end
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end
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metadata
ADDED
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--- !ruby/object:Gem::Specification
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name: chemistry_rails
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version: !ruby/object:Gem::Version
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version: 0.1.0
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platform: ruby
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authors:
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- Radil Radenkov
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autorequire:
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bindir: bin
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cert_chain: []
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date: 2014-06-16 00:00:00.000000000 Z
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dependencies: []
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description: A gem for validating chemical formula and calculating elemental analysis
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email: radil@chem.io
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executables: []
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extensions: []
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extra_rdoc_files: []
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files:
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- lib/chemistry_rails.rb
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homepage: http://rubygems.org/gems/chemistry_rails
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licenses:
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- MIT
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metadata: {}
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post_install_message:
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rdoc_options: []
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require_paths:
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- lib
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required_ruby_version: !ruby/object:Gem::Requirement
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requirements:
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- - ">="
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- !ruby/object:Gem::Version
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version: '0'
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required_rubygems_version: !ruby/object:Gem::Requirement
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requirements:
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- - ">="
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- !ruby/object:Gem::Version
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version: '0'
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requirements: []
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rubyforge_project:
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rubygems_version: 2.2.2
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signing_key:
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specification_version: 4
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summary: Chemistry rails
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test_files: []
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