1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224
|
# flake8: noqa
import numpy as np
# Jmol colors. See: http://jmol.sourceforge.net/jscolors/#color_U
jmol_colors = np.array([
(1.000, 0.000, 0.000), # None
(1.000, 1.000, 1.000), # H
(0.851, 1.000, 1.000), # He
(0.800, 0.502, 1.000), # Li
(0.761, 1.000, 0.000), # Be
(1.000, 0.710, 0.710), # B
(0.565, 0.565, 0.565), # C
(0.188, 0.314, 0.973), # N
(1.000, 0.051, 0.051), # O
(0.565, 0.878, 0.314), # F
(0.702, 0.890, 0.961), # Ne
(0.671, 0.361, 0.949), # Na
(0.541, 1.000, 0.000), # Mg
(0.749, 0.651, 0.651), # Al
(0.941, 0.784, 0.627), # Si
(1.000, 0.502, 0.000), # P
(1.000, 1.000, 0.188), # S
(0.122, 0.941, 0.122), # Cl
(0.502, 0.820, 0.890), # Ar
(0.561, 0.251, 0.831), # K
(0.239, 1.000, 0.000), # Ca
(0.902, 0.902, 0.902), # Sc
(0.749, 0.761, 0.780), # Ti
(0.651, 0.651, 0.671), # V
(0.541, 0.600, 0.780), # Cr
(0.612, 0.478, 0.780), # Mn
(0.878, 0.400, 0.200), # Fe
(0.941, 0.565, 0.627), # Co
(0.314, 0.816, 0.314), # Ni
(0.784, 0.502, 0.200), # Cu
(0.490, 0.502, 0.690), # Zn
(0.761, 0.561, 0.561), # Ga
(0.400, 0.561, 0.561), # Ge
(0.741, 0.502, 0.890), # As
(1.000, 0.631, 0.000), # Se
(0.651, 0.161, 0.161), # Br
(0.361, 0.722, 0.820), # Kr
(0.439, 0.180, 0.690), # Rb
(0.000, 1.000, 0.000), # Sr
(0.580, 1.000, 1.000), # Y
(0.580, 0.878, 0.878), # Zr
(0.451, 0.761, 0.788), # Nb
(0.329, 0.710, 0.710), # Mo
(0.231, 0.620, 0.620), # Tc
(0.141, 0.561, 0.561), # Ru
(0.039, 0.490, 0.549), # Rh
(0.000, 0.412, 0.522), # Pd
(0.753, 0.753, 0.753), # Ag
(1.000, 0.851, 0.561), # Cd
(0.651, 0.459, 0.451), # In
(0.400, 0.502, 0.502), # Sn
(0.620, 0.388, 0.710), # Sb
(0.831, 0.478, 0.000), # Te
(0.580, 0.000, 0.580), # I
(0.259, 0.620, 0.690), # Xe
(0.341, 0.090, 0.561), # Cs
(0.000, 0.788, 0.000), # Ba
(0.439, 0.831, 1.000), # La
(1.000, 1.000, 0.780), # Ce
(0.851, 1.000, 0.780), # Pr
(0.780, 1.000, 0.780), # Nd
(0.639, 1.000, 0.780), # Pm
(0.561, 1.000, 0.780), # Sm
(0.380, 1.000, 0.780), # Eu
(0.271, 1.000, 0.780), # Gd
(0.188, 1.000, 0.780), # Tb
(0.122, 1.000, 0.780), # Dy
(0.000, 1.000, 0.612), # Ho
(0.000, 0.902, 0.459), # Er
(0.000, 0.831, 0.322), # Tm
(0.000, 0.749, 0.220), # Yb
(0.000, 0.671, 0.141), # Lu
(0.302, 0.761, 1.000), # Hf
(0.302, 0.651, 1.000), # Ta
(0.129, 0.580, 0.839), # W
(0.149, 0.490, 0.671), # Re
(0.149, 0.400, 0.588), # Os
(0.090, 0.329, 0.529), # Ir
(0.816, 0.816, 0.878), # Pt
(1.000, 0.820, 0.137), # Au
(0.722, 0.722, 0.816), # Hg
(0.651, 0.329, 0.302), # Tl
(0.341, 0.349, 0.380), # Pb
(0.620, 0.310, 0.710), # Bi
(0.671, 0.361, 0.000), # Po
(0.459, 0.310, 0.271), # At
(0.259, 0.510, 0.588), # Rn
(0.259, 0.000, 0.400), # Fr
(0.000, 0.490, 0.000), # Ra
(0.439, 0.671, 0.980), # Ac
(0.000, 0.729, 1.000), # Th
(0.000, 0.631, 1.000), # Pa
(0.000, 0.561, 1.000), # U
(0.000, 0.502, 1.000), # Np
(0.000, 0.420, 1.000), # Pu
(0.329, 0.361, 0.949), # Am
(0.471, 0.361, 0.890), # Cm
(0.541, 0.310, 0.890), # Bk
(0.631, 0.212, 0.831), # Cf
(0.702, 0.122, 0.831), # Es
(0.702, 0.122, 0.729), # Fm
(0.702, 0.051, 0.651), # Md
(0.741, 0.051, 0.529), # No
(0.780, 0.000, 0.400), # Lr
(0.800, 0.000, 0.349), # Rf
(0.820, 0.000, 0.310), # Db
(0.851, 0.000, 0.271), # Sg
(0.878, 0.000, 0.220), # Bh
(0.902, 0.000, 0.180), # Hs
(0.922, 0.000, 0.149), # Mt
])
# CPK colors in units of RGB values:
cpk_colors = np.array([
(1.000, 0.000, 0.000), # None
(1.000, 1.000, 1.000), # H
(1.000, 0.753, 0.796), # He
(0.698, 0.133, 0.133), # Li
(1.000, 0.078, 0.576), # Be
(0.000, 1.000, 0.000), # B
(0.784, 0.784, 0.784), # C
(0.561, 0.561, 1.000), # N
(0.941, 0.000, 0.000), # O
(0.855, 0.647, 0.125), # F
(1.000, 0.078, 0.576), # Ne
(0.000, 0.000, 1.000), # Na
(0.133, 0.545, 0.133), # Mg
(0.502, 0.502, 0.565), # Al
(0.855, 0.647, 0.125), # Si
(1.000, 0.647, 0.000), # P
(1.000, 0.784, 0.196), # S
(0.000, 1.000, 0.000), # Cl
(1.000, 0.078, 0.576), # Ar
(1.000, 0.078, 0.576), # K
(0.502, 0.502, 0.565), # Ca
(1.000, 0.078, 0.576), # Sc
(0.502, 0.502, 0.565), # Ti
(1.000, 0.078, 0.576), # V
(0.502, 0.502, 0.565), # Cr
(0.502, 0.502, 0.565), # Mn
(1.000, 0.647, 0.000), # Fe
(1.000, 0.078, 0.576), # Co
(0.647, 0.165, 0.165), # Ni
(0.647, 0.165, 0.165), # Cu
(0.647, 0.165, 0.165), # Zn
(1.000, 0.078, 0.576), # Ga
(1.000, 0.078, 0.576), # Ge
(1.000, 0.078, 0.576), # As
(1.000, 0.078, 0.576), # Se
(0.647, 0.165, 0.165), # Br
(1.000, 0.078, 0.576), # Kr
(1.000, 0.078, 0.576), # Rb
(1.000, 0.078, 0.576), # Sr
(1.000, 0.078, 0.576), # Y
(1.000, 0.078, 0.576), # Zr
(1.000, 0.078, 0.576), # Nb
(1.000, 0.078, 0.576), # Mo
(1.000, 0.078, 0.576), # Tc
(1.000, 0.078, 0.576), # Ru
(1.000, 0.078, 0.576), # Rh
(1.000, 0.078, 0.576), # Pd
(0.502, 0.502, 0.565), # Ag
(1.000, 0.078, 0.576), # Cd
(1.000, 0.078, 0.576), # In
(1.000, 0.078, 0.576), # Sn
(1.000, 0.078, 0.576), # Sb
(1.000, 0.078, 0.576), # Te
(0.627, 0.125, 0.941), # I
(1.000, 0.078, 0.576), # Xe
(1.000, 0.078, 0.576), # Cs
(1.000, 0.647, 0.000), # Ba
(1.000, 0.078, 0.576), # La
(1.000, 0.078, 0.576), # Ce
(1.000, 0.078, 0.576), # Pr
(1.000, 0.078, 0.576), # Nd
(1.000, 0.078, 0.576), # Pm
(1.000, 0.078, 0.576), # Sm
(1.000, 0.078, 0.576), # Eu
(1.000, 0.078, 0.576), # Gd
(1.000, 0.078, 0.576), # Tb
(1.000, 0.078, 0.576), # Dy
(1.000, 0.078, 0.576), # Ho
(1.000, 0.078, 0.576), # Er
(1.000, 0.078, 0.576), # Tm
(1.000, 0.078, 0.576), # Yb
(1.000, 0.078, 0.576), # Lu
(1.000, 0.078, 0.576), # Hf
(1.000, 0.078, 0.576), # Ta
(1.000, 0.078, 0.576), # W
(1.000, 0.078, 0.576), # Re
(1.000, 0.078, 0.576), # Os
(1.000, 0.078, 0.576), # Ir
(1.000, 0.078, 0.576), # Pt
(0.855, 0.647, 0.125), # Au
(1.000, 0.078, 0.576), # Hg
(1.000, 0.078, 0.576), # Tl
(1.000, 0.078, 0.576), # Pb
(1.000, 0.078, 0.576), # Bi
(1.000, 0.078, 0.576), # Po
(1.000, 0.078, 0.576), # At
(1.000, 1.000, 1.000), # Rn
(1.000, 1.000, 1.000), # Fr
(1.000, 1.000, 1.000), # Ra
(1.000, 1.000, 1.000), # Ac
(1.000, 0.078, 0.576), # Th
(1.000, 1.000, 1.000), # Pa
(1.000, 0.078, 0.576), # U
(1.000, 1.000, 1.000), # Np
(1.000, 1.000, 1.000), # Pu
(1.000, 1.000, 1.000), # Am
(1.000, 1.000, 1.000), # Cm
(1.000, 1.000, 1.000), # Bk
(1.000, 1.000, 1.000), # Cf
(1.000, 1.000, 1.000), # Es
(1.000, 1.000, 1.000), # Fm
(1.000, 1.000, 1.000), # Md
(1.000, 1.000, 1.000), # No
(1.000, 1.000, 1.000) # Lw
])
|