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ElementTable.py
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ElementTable.py
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# -*- coding: utf-8 -*-
'''
Element table data for building periodic table with valences & JMOL colors.
Need these in case we go back to this periodic table coloring scheme.
Defines list ``ElTable`` which contains all defined oxidation states for each
element, the location in the table, an element name, a color, a size and a
second color.
'''
REcolor = (128, 128, 255)
Metcolor = (192, 192, 192)
Noblecolor = (255, 128, 255)
Alkcolor = (255, 255, 128)
AlkEcolor = (255, 128, 0)
SemMetcolor = (128, 255, 0)
NonMetcolor = (0, 255, 255)
White = (255, 255, 255)
ElTable = [
(["H","H-1","D","D-1","T","T-1"],0,0, "Hydrogen", White, 0.0000,(255,255,255)),
(["D","D-1"], -1,-1, "Deuterium", White, 0.0000,(255,255,255)),
(["T","T-1"], -1,-1, "Tritium", White, 0.0000,(255,255,255)),
(["He",], 17,0, "Helium", Noblecolor, 0.0000,(217,255,255)),
(["Li","Li+1"], 0,1, "Lithium", Alkcolor, 0.0004,(204,128,255)),
(["Be","Be+2"], 1,1, "Beryllium", AlkEcolor, 0.0006,(194,255,0)),
(["B",], 12,1, "Boron", NonMetcolor, 0.0012,(255,181,181)),
(["C",], 13,1, "Carbon", NonMetcolor, 0.0018,(144,144,144)),
(["N",], 14,1, "Nitrogen", NonMetcolor, 0.0030,(48,80,248)),
(["O","O-1","O-2"], 15,1, "Oxygen", NonMetcolor, 0.0042,(255,13,13)),
(["F","F-1"], 16,1, "Fluorine", NonMetcolor, 0.0054,(144,224,80)),
(["Ne",], 17,1, "Neon", Noblecolor, 0.0066,(179,227,245)),
(["Na","Na+1"], 0,2, "Sodium", Alkcolor, 0.0084,(171,92,242)),
(["Mg","Mg+2"], 1,2, "Magnesium", AlkEcolor, 0.0110,(138,255,0)),
(["Al","Al+3"], 12,2, "Aluminum", SemMetcolor, 0.0125,(191,166,166)),
(["Si","Si+4"], 13,2, "Silicon", NonMetcolor, 0.0158,(240,200,160)),
(["P",], 14,2, "Phosphorus", NonMetcolor, 0.0180,(255,128,0)),
(["S",], 15,2, "Sulphur", NonMetcolor, 0.0210,(255,255,48)),
(["Cl","Cl-1"], 16,2, "Chlorine", NonMetcolor, 0.0250,(31,240,31)),
(["Ar",], 17,2, "Argon", Noblecolor, 0.0285,(128,209,227)),
(["K","K+1"], 0,3, "Potassium", Alkcolor, 0.0320,(61,255,0)),
(["Ca","Ca+2"], 1,3, "Calcium", AlkEcolor, 0.0362,(61,255,0)),
(["Sc","Sc+3"], 2,3, "Scandium", Metcolor, 0.0410,(230,230,230)),
(["Ti","Ti+2","Ti+3","Ti+4"], 3,3, "Titanium", Metcolor, 0.0460,(191,194,199)),
(["V","V+2","V+3","V+5"], 4,3, "Vanadium", Metcolor, 0.0510,(166,166,171)),
(["Cr","Cr+2","Cr+3"], 5,3, "Chromium", Metcolor, 0.0560,(138,153,199)),
(["Mn","Mn+2","Mn+3","Mn+4"], 6,3, "Manganese", Metcolor, 0.0616,(156,122,199)),
(["Fe","Fe+2","Fe+3"], 7,3, "Iron", Metcolor, 0.0680,(224,102,51)),
(["Co","Co+2","Co+3"], 8,3, "Cobalt", Metcolor, 0.0740,(240,144,160)),
(["Ni","Ni+2","Ni+3"], 9,3, "Nickel", Metcolor, 0.0815,(80,208,80)),
(["Cu","Cu+1","Cu+2"], 10,3, "Copper", Metcolor, 0.0878,(200,128,51)),
(["Zn","Zn+2"], 11,3, "Zinc", Metcolor, 0.0960,(125,128,176)),
(["Ga","Ga+3"], 12,3, "Gallium", SemMetcolor, 0.104,(194,143,143)),
(["Ge","Ge+4"], 13,3, "Germanium", SemMetcolor, 0.114,(102,143,143)),
(["As",], 14,3, "Arsenic", NonMetcolor, 0.120,(255,0,255)),
(["Se",], 15,3, "Selenium", NonMetcolor, 0.132,(255,161,0)),
(["Br","Br-1"], 16,3, "Bromine", NonMetcolor, 0.141,(166,41,41)),
(["Kr",], 17,3, "Krypton", Noblecolor, 0.150,(92,184,209)),
(["Rb","Rb+1"], 0,4, "Rubidium", Alkcolor, 0.159,(112,46,176)),
(["Sr","Sr+2"], 1,4, "Strontium", AlkEcolor, 0.171,(0,255,0)),
(["Y","Y+3"], 2,4, "Yittrium", Metcolor, 0.180,(148,255,255)),
(["Zr","Zr+4"], 3,4, "Zirconium", Metcolor, 0.192,(148,224,224)),
(["Nb","Nb+3","Nb+5"], 4,4, "Niobium", Metcolor, 0.204,(115,194,201)),
(["Mo","Mo+3","Mo+5","Mo+6"], 5,4, "Molybdenium", Metcolor, 0.216,(84,181,181)),
(["Tc",], 6,4, "Technetium", Metcolor, 0.228,(59,158,158)),
(["Ru","Ru+3","Ru+4"], 7,4, "Ruthenium", Metcolor, 0.246,(36,143,143)),
(["Rh","Rh+3","Rh+4"], 8,4, "Rhodium", Metcolor, 0.258,(10,125,140)),
(["Pd","Pd+2","Pd+4"], 9,4, "Palladium", Metcolor, 0.270,(0,105,133)),
(["Ag","Ag+1","Ag+2"], 10,4, "Silver", Metcolor, 0.285,(192,192,192)),
(["Cd","Cd+2"], 11,4, "Cadmium", Metcolor, 0.300,(255,217,143)),
(["In","In+3"], 12,4, "Indium", SemMetcolor, 0.318,(166,117,115)),
(["Sn","Sn+2","Sn+4"], 13,4, "Tin", SemMetcolor, 0.330,(102,128,128)),
(["Sb","Sb+3","Sb+5"], 14,4, "Antimony", SemMetcolor, 0.348,(158,99,181)),
(["Te",], 15,4, "Tellurium", NonMetcolor, 0.363,(212,122,0)),
(["I","I-1"], 16,4, "Iodine", NonMetcolor, 0.384,(148,0,148)),
(["Xe",], 17,4, "Xenon", Noblecolor, 0.396,(66,158,176)),
(["Cs","Cs+1"], 0,5, "Caesium", Alkcolor, 0.414,(87,23,143)),
(["Ba","Ba+2"], 1,5, "Barium", AlkEcolor, 0.438,(0,201,0)),
(["La","La+3"], 2,5, "Lanthanium", Metcolor, 0.456,(112,212,255)),
(["Ce","Ce+3","Ce+4"], 3.5,6.5, "Cerium", REcolor, 0.474,(255,255,199)),
(["Pr","Pr+3","Pr+4"], 4.5,6.5, "Praseodymium",REcolor, 0.492,(217,255,199)),
(["Nd","Nd+3"], 5.5,6.5, "Neodymium", REcolor, 0.516,(199,255,199)),
(["Pm","Pm+3"], 6.5,6.5, "Promethium", REcolor, 0.534,(163,255,199)),
(["Sm","Sm+3"], 7.5,6.5, "Samarium", REcolor, 0.558,(143,255,199)),
(["Eu","Eu+2","Eu+3"], 8.5,6.5, "Europium", REcolor, 0.582,(97,255,199)),
(["Gd","Gd+3"], 9.5,6.5, "Gadolinium", REcolor, 0.610,(69,255,199)),
(["Tb","Tb+3"], 10.5,6.5, "Terbium", REcolor, 0.624,(48,255,199)),
(["Dy","Dy+3"], 11.5,6.5, "Dysprosium", REcolor, 0.648,(31,255,199)),
(["Ho","Ho+3"], 12.5,6.5, "Holmium", REcolor, 0.672,(0,255,156)),
(["Er","Er+3"], 13.5,6.5, "Erbium", REcolor, 0.696,(0,230,117)),
(["Tm","Tm+3"], 14.5,6.5, "Thulium", REcolor, 0.723,(0,212,82)),
(["Yb","Yb+2","Yb+3"], 15.5,6.5, "Ytterbium", REcolor, 0.750,(0,191,56)),
(["Lu","Lu+3"], 16.5,6.5, "Lutetium", REcolor, 0.780,(0,171,36)),
(["Hf","Hf+4"], 3,5, "Hafnium", Metcolor, 0.804,(77,194,255)),
(["Ta","Ta+5"], 4,5, "Tantalum", Metcolor, 0.834,(77,166,255)),
(["W","W+6"], 5,5, "Tungsten", Metcolor, 0.864,(33,148,214)),
(["Re",], 6,5, "Rhenium", Metcolor, 0.900,(38,125,171)),
(["Os","Os+4"], 7,5, "Osmium", Metcolor, 0.919,(38,102,150)),
(["Ir","Ir+3","Ir+4"], 8,5, "Iridium", Metcolor, 0.948,(23,84,135)),
(["Pt","Pt+2","Pt+4"], 9,5, "Platinium", Metcolor, 0.984,(208,208,224)),
(["Au","Au+1","Au+3"], 10,5, "Gold", Metcolor, 1.014,(255,209,35)),
(["Hg","Hg+1","Hg+2"], 11,5, "Mercury", Metcolor, 1.046,(184,184,208)),
(["Tl","Tl+1","Tl+3"], 12,5, "Thallium", SemMetcolor, 1.080,(166,84,77)),
(["Pb","Pb+2","Pb+4"], 13,5, "Lead", SemMetcolor, 1.116,(87,89,97)),
(["Bi","Bi+3","Bi+5"], 14,5, "Bismuth", SemMetcolor, 1.149,(158,79,181)),
(["Po",], 15,5, "Polonium", SemMetcolor, 1.189,(171,92,0)),
(["At",], 16,5, "Astatine", NonMetcolor, 1.224,(117,79,69)),
(["Rn",], 17,5, "Radon", Noblecolor, 1.260,(66,130,150)),
(["Fr",], 0,6, "Francium", Alkcolor, 1.296,(66,0,102)),
(["Ra","Ra+2"], 1,6, "Radium", AlkEcolor, 1.332,(0,125,0)),
(["Ac","Ac+3"], 2,6, "Actinium", Metcolor, 1.374,(112,171,250)),
(["Th","Th+4"], 3.5,7.5, "Thorium", REcolor, 1.416,(0,186,255)),
(["Pa",], 4.5,7.5, "Protactinium",REcolor, 1.458,(0,161,255)),
(["U","U+3","U+4","U+6"], 5.5,7.5, "Uranium", REcolor, 1.470,(0,143,255)),
(["Np","Np+3","Np+4","Np+6"], 6.5,7.5, "Neptunium", REcolor, 1.536,(0,128,255)),
(["Pu","Pu+3","Pu+4","Pu+6"], 7.5,7.5, "Plutonium", REcolor, 1.584,(0,107,255)),
(["Am",], 8.5,7.5, "Americium", REcolor, 1.626,(84,92,242)),
(["Cm",], 9.5,7.5, "Curium", REcolor, 1.669,(120,92,227)),
(["Bk",], 10.5,7.5, "Berkelium", REcolor, 1.716,(138,79,227)),
(["Cf",], 11.5,7.5, "Californium", REcolor, 1.764,(161,54,212)),
(["Va",], 13.5,7.5, "Vacancy", White, 0.000,(255,255,255)),
(["Q",], 14.5,7.5, "Special form factor", REcolor, 0.000,(161,54,212)),
(["None",], 15.5,7.5, "No element choice",REcolor, 0.000,(161,54,212)),
]
MagElTable = [
(["O"], 15,1, "Oxygen", NonMetcolor, 0.0042,(255,13,13)),
(["Sc","Sc+1","Sc+2","Sc+3"], 2,3, "Scandium", Metcolor, 0.0410,(230,230,230)),
(["Ti","Ti+2","Ti+3"], 3,3, "Titanium", Metcolor, 0.0460,(191,194,199)),
(["V","V+1","V+2","V+3"], 4,3, "Vanadium", Metcolor, 0.0510,(166,166,171)),
(["Cr","Cr+1","Cr+2","Cr+3","Cr+4"], 5,3, "Chromium", Metcolor, 0.0560,(138,153,199)),
(["Mn","Mn+1","Mn+2","Mn+3","Mn+4"], 6,3, "Manganese", Metcolor, 0.0616,(156,122,199)),
(["Fe","Fe+1","Fe+2","Fe+3","Fe+4"], 7,3, "Iron", Metcolor, 0.0680,(224,102,51)),
(["Co","Co+1","Co+2","Co+3","Co+4"], 8,3, "Cobalt", Metcolor, 0.0740,(240,144,160)),
(["Ni","Ni+1","Ni+2","Ni+3","Ni+4"], 9,3, "Nickel", Metcolor, 0.0815,(80,208,80)),
(["Cu","Cu+1","Cu+2","Cu+3","Cu+4"], 10,3, "Copper", Metcolor, 0.0878,(200,128,51)),
(["Y"], 2,4, "Yittrium", Metcolor, 0.180,(148,255,255)),
(["Zr","Zr+1"], 3,4, "Zirconium", Metcolor, 0.192,(148,224,224)),
(["Nb","Nb+1"], 4,4, "Niobium", Metcolor, 0.204,(115,194,201)),
(["Mo","Mo+1"], 5,4, "Molybdenium", Metcolor, 0.216,(84,181,181)),
(["Tc","Tc+1"], 6,4, "Technetium", Metcolor, 0.228,(59,158,158)),
(["Ru","Ru+1"], 7,4, "Ruthenium", Metcolor, 0.246,(36,143,143)),
(["Rh","Rh+1"], 8,4, "Rhodium", Metcolor, 0.258,(10,125,140)),
(["Pd","Pd+1"], 9,4, "Palladium", Metcolor, 0.270,(0,105,133)),
#NB: zero valent atoms are copied from lowest valent ion for many of these
(["Ce","Ce+2"], 3.5,6.5, "Cerium", REcolor, 0.474,(255,255,199)),
(["Nd","Nd+2"], 5.5,6.5, "Neodymium", REcolor, 0.516,(199,255,199)),
(["Sm","Sm+2","Sm+3"], 7.5,6.5, "Samarium", REcolor, 0.558,(143,255,199)),
(["Eu","Eu+2","Eu+3"], 8.5,6.5, "Europium", REcolor, 0.582,(97,255,199)),
(["Gd","Gd+2","Gd+3"], 9.5,6.5, "Gadolinium", REcolor, 0.610,(69,255,199)),
(["Tb","Tb+2","Tb+3"], 10.5,6.5, "Terbium", REcolor, 0.624,(48,255,199)),
(["Dy","Dy+2","Dy+3"], 11.5,6.5, "Dysprosium", REcolor, 0.648,(31,255,199)),
(["Ho","Ho+2","Ho+3"], 12.5,6.5, "Holmium", REcolor, 0.672,(0,255,156)),
(["Er","Er+2","Er+3"], 13.5,6.5, "Erbium", REcolor, 0.696,(0,230,117)),
(["Tm","Tm+2","Tm+3"], 14.5,6.5, "Thulium", REcolor, 0.723,(0,212,82)),
(["Yb","Yb+2","Yb+3"], 15.5,6.5, "Ytterbium", REcolor, 0.750,(0,191,56)),
(["Hf","Hf+2","Hf+3"], 3,5, "Hafnium", Metcolor, 0.804,(77,194,255)),
(["Ta","Ta+2","Ta+3","Ta+4"], 4,5, "Tantalum", Metcolor, 0.834,(77,166,255)),
(["W","W+1","W+2","W+3","W+4","W+5"], 5,5, "Tungsten", Metcolor, 0.864,(33,148,214)),
(["Re","Re+1","Re+2","Re+3","Re+4","Re+5","Re+6"], 6,5, "Rhenium", Metcolor, 0.900,(38,125,171)),
(["Os","Os+1","Os+2","Os+3","Os+4","Os+5","Os+6","Os+7"], 7,5, "Osmium", Metcolor, 0.919,(38,102,150)),
(["Ir","Ir+1","Ir+2","Ir+3","Ir+4","Ir+5","Ir+6"], 8,5, "Iridium", Metcolor, 0.948,(23,84,135)),
(["Pt","Pt+1","Pt+2","Pt+3","Pt+4","Pt+5","Pt+6"], 9,5, "Platinium", Metcolor, 0.984,(208,208,224)),
(["Au","Au+1","Au+2","Au+3","Au+4","Au+5"], 10,5, "Gold", Metcolor, 1.014,(255,209,35)),
(["U","U+3","U+4","U+5"], 5.5,7.5, "Uranium", REcolor, 1.470,(0,143,255)),
(["Np","Np+3","Np+4","Np+5","Np+6"], 6.5,7.5, "Neptunium", REcolor, 1.536,(0,128,255)),
(["Pu","Pu+3","Pu+4","Pu+5","Pu+6"], 7.5,7.5, "Plutonium", REcolor, 1.584,(0,107,255)),
(["Am","Am+2","Am+3","Am+4","Am+5","Am+6","Am+7"], 8.5,7.5, "Americium", REcolor, 1.626,(84,92,242)),
]
OrbsElTable = [
(["H",], 0,0, "Hydrogen", White, 0.0000,(255,255,255)),
(["Li"], 0,1, "Lithium", Alkcolor, 0.0004,(204,128,255)),
(["Be",], 1,1, "Beryllium", AlkEcolor, 0.0006,(194,255,0)),
(["B",], 12,1, "Boron", NonMetcolor, 0.0012,(255,181,181)),
(["C",], 13,1, "Carbon", NonMetcolor, 0.0018,(144,144,144)),
(["N",], 14,1, "Nitrogen", NonMetcolor, 0.0030,(48,80,248)),
(["O",], 15,1, "Oxygen", NonMetcolor, 0.0042,(255,13,13)),
(["F",], 16,1, "Fluorine", NonMetcolor, 0.0054,(144,224,80)),
(["Na",], 0,2, "Sodium", Alkcolor, 0.0084,(171,92,242)),
(["Mg"], 1,2, "Magnesium", AlkEcolor, 0.0110,(138,255,0)),
(["Al"], 12,2, "Aluminum", SemMetcolor, 0.0125,(191,166,166)),
(["Si"], 13,2, "Silicon", NonMetcolor, 0.0158,(240,200,160)),
(["P",], 14,2, "Phosphorus", NonMetcolor, 0.0180,(255,128,0)),
(["S",], 15,2, "Sulphur", NonMetcolor, 0.0210,(255,255,48)),
(["Cl"], 16,2, "Chlorine", NonMetcolor, 0.0250,(31,240,31)),
(["K",], 0,3, "Potassium", Alkcolor, 0.0320,(61,255,0)),
(["Ca",], 1,3, "Calcium", AlkEcolor, 0.0362,(61,255,0)),
(["Sc"], 2,3, "Scandium", Metcolor, 0.0410,(230,230,230)),
(["Ti","Ti+3"], 3,3, "Titanium", Metcolor, 0.0460,(191,194,199)),
(["V","V+2","V+3"], 4,3, "Vanadium", Metcolor, 0.0510,(166,166,171)),
(["Cr","Cr+2","Cr+3"], 5,3, "Chromium", Metcolor, 0.0560,(138,153,199)),
(["Mn","Mn+2","Mn+3","Mn+4"], 6,3, "Manganese", Metcolor, 0.0616,(156,122,199)),
(["Fe","Fe+2","Fe+3"], 7,3, "Iron", Metcolor, 0.0680,(224,102,51)),
(["Co","Co+2","Co+3"], 8,3, "Cobalt", Metcolor, 0.0740,(240,144,160)),
(["Ni","Ni+2","Ni+3"], 9,3, "Nickel", Metcolor, 0.0815,(80,208,80)),
(["Cu","Cu+2"], 10,3, "Copper", Metcolor, 0.0878,(200,128,51)),
(["Zn","Zn+2"], 11,3, "Zinc", Metcolor, 0.0960,(125,128,176)),
(["Ga",], 12,3, "Gallium", SemMetcolor, 0.104,(194,143,143)),
(["Ge",], 13,3, "Germanium", SemMetcolor, 0.114,(102,143,143)),
(["As",], 14,3, "Arsenic", NonMetcolor, 0.120,(255,0,255)),
(["Se",], 15,3, "Selenium", NonMetcolor, 0.132,(255,161,0)),
(["Br",], 16,3, "Bromine", NonMetcolor, 0.141,(166,41,41)),
(["Kr",], 17,3, "Krypton", Noblecolor, 0.150,(92,184,209)),
(["Rb",], 0,4, "Rubidium", Alkcolor, 0.159,(112,46,176)),
(["Sr",], 1,4, "Strontium", AlkEcolor, 0.171,(0,255,0)),
(["Y",], 2,4, "Yittrium", Metcolor, 0.180,(148,255,255)),
(["Zr",], 3,4, "Zirconium", Metcolor, 0.192,(148,224,224)),
(["Nb","Nb+3",], 4,4, "Niobium", Metcolor, 0.204,(115,194,201)),
(["Mo","Mo+3","Mo+5",], 5,4, "Molybdenium", Metcolor, 0.216,(84,181,181)),
(["Tc",], 6,4, "Technetium", Metcolor, 0.228,(59,158,158)),
(["Ru","Ru+3","Ru+4"], 7,4, "Ruthenium", Metcolor, 0.246,(36,143,143)),
(["Rh","Rh+3","Rh+4"], 8,4, "Rhodium", Metcolor, 0.258,(10,125,140)),
(["Pd","Pd+2","Pd+4"], 9,4, "Palladium", Metcolor, 0.270,(0,105,133)),
(["Ag","Ag+1","Ag+2"], 10,4, "Silver", Metcolor, 0.285,(192,192,192)),
(["Cd","Cd+2"], 11,4, "Cadmium", Metcolor, 0.300,(255,217,143)),
(["In","In+3"], 12,4, "Indium", SemMetcolor, 0.318,(166,117,115)),
(["Sn","Sn+2","Sn+4"], 13,4, "Tin", SemMetcolor, 0.330,(102,128,128)),
(["Sb","Sb+3","Sb+5"], 14,4, "Antimony", SemMetcolor, 0.348,(158,99,181)),
(["Te",], 15,4, "Tellurium", NonMetcolor, 0.363,(212,122,0)),
(["I","I-1"], 16,4, "Iodine", NonMetcolor, 0.384,(148,0,148)),
(["Xe",], 17,4, "Xenon", Noblecolor, 0.396,(66,158,176)),
]