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mf.h
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1
/*==============================================*/
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/* Copyright (C) 2016-2019 NextMove Software */
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/* All rights reserved. */
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/* */
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/* This file is part of molhash. */
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/* */
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/* The contents are covered by the terms of the */
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/* BSD license, which is included in the file */
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/* license.txt. */
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/*==============================================*/
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#ifndef NMS_MOLFORMULA_H
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#define NMS_MOLFORMULA_H
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14
static
unsigned
char
OrganicHillOrder
[119] = {
15
6,
/* C */
16
1,
/* H */
17
89,
/* Ac */
18
47,
/* Ag */
19
13,
/* Al */
20
95,
/* Am */
21
18,
/* Ar */
22
33,
/* As */
23
85,
/* At */
24
79,
/* Au */
25
5,
/* B */
26
56,
/* Ba */
27
4,
/* Be */
28
107,
/* Bh */
29
83,
/* Bi */
30
97,
/* Bk */
31
35,
/* Br */
32
20,
/* Ca */
33
48,
/* Cd */
34
58,
/* Ce */
35
98,
/* Cf */
36
17,
/* Cl */
37
96,
/* Cm */
38
112,
/* Cn */
39
27,
/* Co */
40
24,
/* Cr */
41
55,
/* Cs */
42
29,
/* Cu */
43
105,
/* Db */
44
110,
/* Ds */
45
66,
/* Dy */
46
68,
/* Er */
47
99,
/* Es */
48
63,
/* Eu */
49
9,
/* F */
50
26,
/* Fe */
51
114,
/* Fl */
52
100,
/* Fm */
53
87,
/* Fr */
54
31,
/* Ga */
55
64,
/* Gd */
56
32,
/* Ge */
57
2,
/* He */
58
72,
/* Hf */
59
80,
/* Hg */
60
67,
/* Ho */
61
108,
/* Hs */
62
53,
/* I */
63
49,
/* In */
64
77,
/* Ir */
65
19,
/* K */
66
36,
/* Kr */
67
57,
/* La */
68
3,
/* Li */
69
103,
/* Lr */
70
71,
/* Lu */
71
116,
/* Lv */
72
115,
/* Mc */
73
101,
/* Md */
74
12,
/* Mg */
75
25,
/* Mn */
76
42,
/* Mo */
77
109,
/* Mt */
78
7,
/* N */
79
11,
/* Na */
80
41,
/* Nb */
81
60,
/* Nd */
82
10,
/* Ne */
83
113,
/* Nh */
84
28,
/* Ni */
85
102,
/* No */
86
93,
/* Np */
87
8,
/* O */
88
118,
/* Og */
89
76,
/* Os */
90
15,
/* P */
91
91,
/* Pa */
92
82,
/* Pb */
93
46,
/* Pd */
94
61,
/* Pm */
95
84,
/* Po */
96
59,
/* Pr */
97
78,
/* Pt */
98
94,
/* Pu */
99
88,
/* Ra */
100
37,
/* Rb */
101
75,
/* Re */
102
104,
/* Rf */
103
111,
/* Rg */
104
45,
/* Rh */
105
86,
/* Rn */
106
44,
/* Ru */
107
16,
/* S */
108
51,
/* Sb */
109
21,
/* Sc */
110
34,
/* Se */
111
106,
/* Sg */
112
14,
/* Si */
113
62,
/* Sm */
114
50,
/* Sn */
115
38,
/* Sr */
116
73,
/* Ta */
117
65,
/* Tb */
118
43,
/* Tc */
119
52,
/* Te */
120
90,
/* Th */
121
22,
/* Ti */
122
81,
/* Tl */
123
69,
/* Tm */
124
117,
/* Ts */
125
92,
/* U */
126
23,
/* V */
127
74,
/* W */
128
0,
/* X */
129
54,
/* Xe */
130
39,
/* Y */
131
70,
/* Yb */
132
30,
/* Zn */
133
40
/* Zr */
134
};
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136
static
unsigned
char
InorganicHillOrder
[119] = {
137
89,
/* Ac */
138
47,
/* Ag */
139
13,
/* Al */
140
95,
/* Am */
141
18,
/* Ar */
142
33,
/* As */
143
85,
/* At */
144
79,
/* Au */
145
5,
/* B */
146
56,
/* Ba */
147
4,
/* Be */
148
107,
/* Bh */
149
83,
/* Bi */
150
97,
/* Bk */
151
35,
/* Br */
152
6,
/* C */
153
20,
/* Ca */
154
48,
/* Cd */
155
58,
/* Ce */
156
98,
/* Cf */
157
17,
/* Cl */
158
96,
/* Cm */
159
112,
/* Cn */
160
27,
/* Co */
161
24,
/* Cr */
162
55,
/* Cs */
163
29,
/* Cu */
164
105,
/* Db */
165
110,
/* Ds */
166
66,
/* Dy */
167
68,
/* Er */
168
99,
/* Es */
169
63,
/* Eu */
170
9,
/* F */
171
26,
/* Fe */
172
114,
/* Fl */
173
100,
/* Fm */
174
87,
/* Fr */
175
31,
/* Ga */
176
64,
/* Gd */
177
32,
/* Ge */
178
1,
/* H */
179
2,
/* He */
180
72,
/* Hf */
181
80,
/* Hg */
182
67,
/* Ho */
183
108,
/* Hs */
184
53,
/* I */
185
49,
/* In */
186
77,
/* Ir */
187
19,
/* K */
188
36,
/* Kr */
189
57,
/* La */
190
3,
/* Li */
191
103,
/* Lr */
192
71,
/* Lu */
193
116,
/* Lv */
194
115,
/* Mc */
195
101,
/* Md */
196
12,
/* Mg */
197
25,
/* Mn */
198
42,
/* Mo */
199
109,
/* Mt */
200
7,
/* N */
201
11,
/* Na */
202
41,
/* Nb */
203
60,
/* Nd */
204
10,
/* Ne */
205
113,
/* Nh */
206
28,
/* Ni */
207
102,
/* No */
208
93,
/* Np */
209
8,
/* O */
210
118,
/* Og */
211
76,
/* Os */
212
15,
/* P */
213
91,
/* Pa */
214
82,
/* Pb */
215
46,
/* Pd */
216
61,
/* Pm */
217
84,
/* Po */
218
59,
/* Pr */
219
78,
/* Pt */
220
94,
/* Pu */
221
88,
/* Ra */
222
37,
/* Rb */
223
75,
/* Re */
224
104,
/* Rf */
225
111,
/* Rg */
226
45,
/* Rh */
227
86,
/* Rn */
228
44,
/* Ru */
229
16,
/* S */
230
51,
/* Sb */
231
21,
/* Sc */
232
34,
/* Se */
233
106,
/* Sg */
234
14,
/* Si */
235
62,
/* Sm */
236
50,
/* Sn */
237
38,
/* Sr */
238
73,
/* Ta */
239
65,
/* Tb */
240
43,
/* Tc */
241
52,
/* Te */
242
90,
/* Th */
243
22,
/* Ti */
244
81,
/* Tl */
245
69,
/* Tm */
246
117,
/* Ts */
247
92,
/* U */
248
23,
/* V */
249
74,
/* W */
250
0,
/* X */
251
54,
/* Xe */
252
39,
/* Y */
253
70,
/* Yb */
254
30,
/* Zn */
255
40
/* Zr */
256
};
257
258
259
static
const
char
*
symbol
[119] = {
260
// x0 x1 x2 x3 x4 x5 x6 x7 x8 x9
261
"X"
,
"H"
,
"He"
,
"Li"
,
"Be"
,
"B"
,
"C"
,
"N"
,
"O"
,
"F"
,
// x
262
"Ne"
,
"Na"
,
"Mg"
,
"Al"
,
"Si"
,
"P"
,
"S"
,
"Cl"
,
"Ar"
,
"K"
,
// 1x
263
"Ca"
,
"Sc"
,
"Ti"
,
"V"
,
"Cr"
,
"Mn"
,
"Fe"
,
"Co"
,
"Ni"
,
"Cu"
,
// 2x
264
"Zn"
,
"Ga"
,
"Ge"
,
"As"
,
"Se"
,
"Br"
,
"Kr"
,
"Rb"
,
"Sr"
,
"Y"
,
// 3x
265
"Zr"
,
"Nb"
,
"Mo"
,
"Tc"
,
"Ru"
,
"Rh"
,
"Pd"
,
"Ag"
,
"Cd"
,
"In"
,
// 4x
266
"Sn"
,
"Sb"
,
"Te"
,
"I"
,
"Xe"
,
"Cs"
,
"Ba"
,
"La"
,
"Ce"
,
"Pr"
,
// 5x
267
"Nd"
,
"Pm"
,
"Sm"
,
"Eu"
,
"Gd"
,
"Tb"
,
"Dy"
,
"Ho"
,
"Er"
,
"Tm"
,
// 6x
268
"Yb"
,
"Lu"
,
"Hf"
,
"Ta"
,
"W"
,
"Re"
,
"Os"
,
"Ir"
,
"Pt"
,
"Au"
,
// 7x
269
"Hg"
,
"Tl"
,
"Pb"
,
"Bi"
,
"Po"
,
"At"
,
"Rn"
,
"Fr"
,
"Ra"
,
"Ac"
,
// 8x
270
"Th"
,
"Pa"
,
"U"
,
"Np"
,
"Pu"
,
"Am"
,
"Cm"
,
"Bk"
,
"Cf"
,
"Es"
,
// 9x
271
"Fm"
,
"Md"
,
"No"
,
"Lr"
,
"Rf"
,
"Db"
,
"Sg"
,
"Bh"
,
"Hs"
,
"Mt"
,
// 10x
272
"Ds"
,
"Rg"
,
"Cn"
,
"Nh"
,
"Fl"
,
"Mc"
,
"Lv"
,
"Ts"
,
"Og"
};
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#endif // NMS_MOLFORMULA_H
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InorganicHillOrder
static unsigned char InorganicHillOrder[119]
Definition:
mf.h:136
OrganicHillOrder
static unsigned char OrganicHillOrder[119]
Definition:
mf.h:14
symbol
static const char * symbol[119]
Definition:
mf.h:259
GraphMol
MolHash
mf.h
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