-
Notifications
You must be signed in to change notification settings - Fork 2
/
Copy pathreactions.py
179 lines (169 loc) · 8.11 KB
/
reactions.py
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
def zaid_to_isotope(zaid: str) -> str:
"""converts an isotope into a zaid e.g. 003006 -> Li6"""
a = str(zaid)[-3:]
z = str(zaid)[:-3]
symbol = ATOMIC_SYMBOL[int(z)]
mass_number = str(int(a))
if mass_number == '0':
return symbol
else:
return symbol + mass_number
def convert_strings_to_numbers(input_string: str) -> float:
"""Converts a number represented as a string into a float. Handels special
case formatting that is used in fotran inputs"""
processed_string = input_string.split(".")
if len(processed_string) == 1 : # in case there is no decimal point
return float(input_string)
# the string is a normal number
if any(item in processed_string[1].lower() for item in ["e+","e", "e-"]):
return float(input_string)
# the string is a fortran formatted number
processed_string[1] = processed_string[1].replace("+","e+")
processed_string[1] = processed_string[1].replace("-","e-")
combined_string = f"{processed_string[0]}.{processed_string[1]}"
return float(combined_string)
ATOMIC_SYMBOL = {
# 0: 'n',
1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C',
7: 'N', 8: 'O', 9: 'F', 10: 'Ne', 11: 'Na', 12: 'Mg', 13: 'Al',
14: 'Si', 15: 'P', 16: 'S', 17: 'Cl', 18: 'Ar', 19: 'K',
20: 'Ca', 21: 'Sc', 22: 'Ti', 23: 'V', 24: 'Cr', 25: 'Mn',
26: 'Fe', 27: 'Co', 28: 'Ni', 29: 'Cu', 30: 'Zn', 31: 'Ga',
32: 'Ge', 33: 'As', 34: 'Se', 35: 'Br', 36: 'Kr', 37: 'Rb',
38: 'Sr', 39: 'Y', 40: 'Zr', 41: 'Nb', 42: 'Mo', 43: 'Tc',
44: 'Ru', 45: 'Rh', 46: 'Pd', 47: 'Ag', 48: 'Cd', 49: 'In',
50: 'Sn', 51: 'Sb', 52: 'Te', 53: 'I', 54: 'Xe', 55: 'Cs',
56: 'Ba', 57: 'La', 58: 'Ce', 59: 'Pr', 60: 'Nd', 61: 'Pm',
62: 'Sm', 63: 'Eu', 64: 'Gd', 65: 'Tb', 66: 'Dy', 67: 'Ho',
68: 'Er', 69: 'Tm', 70: 'Yb', 71: 'Lu', 72: 'Hf', 73: 'Ta',
74: 'W', 75: 'Re', 76: 'Os', 77: 'Ir', 78: 'Pt', 79: 'Au',
80: 'Hg', 81: 'Tl', 82: 'Pb', 83: 'Bi', 84: 'Po', 85: 'At',
86: 'Rn', 87: 'Fr', 88: 'Ra', 89: 'Ac', 90: 'Th', 91: 'Pa',
92: 'U', 93: 'Np', 94: 'Pu', 95: 'Am', 96: 'Cm', 97: 'Bk',
98: 'Cf', 99: 'Es', 100: 'Fm', 101: 'Md', 102: 'No',
103: 'Lr', 104: 'Rf', 105: 'Db', 106: 'Sg', 107: 'Bh',
108: 'Hs', 109: 'Mt', 110: 'Ds', 111: 'Rg', 112: 'Cn',
113: 'Nh', 114: 'Fl', 115: 'Mc', 116: 'Lv', 117: 'Ts',
118: 'Og'
}
reaction_names = [
{"label": "MT 1 (n,total)", "value": "total"},
{"label": "MT 2 (n,elastic)", "value": 2},
{"label": "MT 3 (n,nonelastic)", "value": 3},
{"label": "MT 4 (n,level)", "value": 4},
{"label": "MT 5 (n,misc)", "value": 5},
{"label": "MT 11 (n,2nd)", "value": 11},
{"label": "MT 16 (n,2n)", "value": 16},
{"label": "MT 17 (n,3n)", "value": 17},
{"label": "MT 18 (n,fission)", "value": 18},
{"label": "MT 19 (n,f)", "value": 19},
{"label": "MT 20 (n,nf)", "value": 20},
{"label": "MT 21 (n,2nf)", "value": 21},
{"label": "MT 22 (n,na)", "value": 22},
{"label": "MT 23 (n,n3a)", "value": 23},
{"label": "MT 24 (n,2na)", "value": 24},
{"label": "MT 25 (n,3na)", "value": 25},
{"label": "MT 27 (n,absorption)", "value": 27},
{"label": "MT 28 (n,np)", "value": 28},
{"label": "MT 29 (n,n2a)", "value": 29},
{"label": "MT 30 (n,2n2a)", "value": 30},
{"label": "MT 32 (n,nd)", "value": 32},
{"label": "MT 33 (n,nt)", "value": 33},
{"label": "MT 34 (n,nHe-3)", "value": 34},
{"label": "MT 35 (n,nd2a)", "value": 35},
{"label": "MT 36 (n,nt2a)", "value": 36},
{"label": "MT 37 (n,4n)", "value": 37},
{"label": "MT 38 (n,3nf)", "value": 38},
{"label": "MT 41 (n,2np)", "value": 41},
{"label": "MT 42 (n,3np)", "value": 42},
{"label": "MT 44 (n,n2p)", "value": 44},
{"label": "MT 45 (n,npa)", "value": 45},
{"label": "MT 91 (n,nc)", "value": 91},
{"label": "MT 101 (n,disappear)", "value": 101},
{"label": "MT 102 (n,gamma)", "value": 102},
{"label": "MT 103 (n,p)", "value": 103},
{"label": "MT 104 (n,d)", "value": 104},
{"label": "MT 105 (n,t)", "value": 105},
{"label": "MT 106 (n,3He)", "value": 106},
{"label": "MT 107 (n,a)", "value": 107},
{"label": "MT 108 (n,2a)", "value": 108},
{"label": "MT 109 (n,3a)", "value": 109},
{"label": "MT 111 (n,2p)", "value": 111},
{"label": "MT 112 (n,pa)", "value": 112},
{"label": "MT 113 (n,t2a)", "value": 113},
{"label": "MT 114 (n,d2a)", "value": 114},
{"label": "MT 115 (n,pd)", "value": 115},
{"label": "MT 116 (n,pt)", "value": 116},
{"label": "MT 117 (n,da)", "value": 117},
{"label": "MT 152 (n,5n)", "value": 152},
{"label": "MT 153 (n,6n)", "value": 153},
{"label": "MT 154 (n,2nt)", "value": 154},
{"label": "MT 155 (n,ta)", "value": 155},
{"label": "MT 156 (n,4np)", "value": 156},
{"label": "MT 157 (n,3nd)", "value": 157},
{"label": "MT 158 (n,nda)", "value": 158},
{"label": "MT 159 (n,2npa)", "value": 159},
{"label": "MT 160 (n,7n)", "value": 160},
{"label": "MT 161 (n,8n)", "value": 161},
{"label": "MT 162 (n,5np)", "value": 162},
{"label": "MT 163 (n,6np)", "value": 163},
{"label": "MT 164 (n,7np)", "value": 164},
{"label": "MT 165 (n,4na)", "value": 165},
{"label": "MT 166 (n,5na)", "value": 166},
{"label": "MT 167 (n,6na)", "value": 167},
{"label": "MT 168 (n,7na)", "value": 168},
{"label": "MT 169 (n,4nd)", "value": 169},
{"label": "MT 170 (n,5nd)", "value": 170},
{"label": "MT 171 (n,6nd)", "value": 171},
{"label": "MT 172 (n,3nt)", "value": 172},
{"label": "MT 173 (n,4nt)", "value": 173},
{"label": "MT 174 (n,5nt)", "value": 174},
{"label": "MT 175 (n,6nt)", "value": 175},
{"label": "MT 176 (n,2n3He)", "value": 176},
{"label": "MT 177 (n,3n3He)", "value": 177},
{"label": "MT 178 (n,4n3He)", "value": 178},
{"label": "MT 179 (n,3n2p)", "value": 179},
{"label": "MT 180 (n,3n3a)", "value": 180},
{"label": "MT 181 (n,3npa)", "value": 181},
{"label": "MT 182 (n,dt)", "value": 182},
{"label": "MT 183 (n,npd)", "value": 183},
{"label": "MT 184 (n,npt)", "value": 184},
{"label": "MT 185 (n,ndt)", "value": 185},
{"label": "MT 186 (n,np3He)", "value": 186},
{"label": "MT 187 (n,nd3He)", "value": 187},
{"label": "MT 188 (n,nt3He)", "value": 188},
{"label": "MT 189 (n,nta)", "value": 189},
{"label": "MT 190 (n,2n2p)", "value": 190},
{"label": "MT 191 (n,p3He)", "value": 191},
{"label": "MT 192 (n,d3He)", "value": 192},
{"label": "MT 193 (n,3Hea)", "value": 193},
{"label": "MT 194 (n,4n2p)", "value": 194},
{"label": "MT 195 (n,4n2a)", "value": 195},
{"label": "MT 196 (n,4npa)", "value": 196},
{"label": "MT 197 (n,3p)", "value": 197},
{"label": "MT 198 (n,n3p)", "value": 198},
{"label": "MT 199 (n,3n2pa)", "value": 199},
{"label": "MT 200 (n,5n2p)", "value": 200},
{"label": "MT 203 (n,Xp)", "value": 203},
{"label": "MT 204 (n,Xd)", "value": 204},
{"label": "MT 205 (n,Xt)", "value": 205},
{"label": "MT 206 (n,3He)", "value": 206},
{"label": "MT 207 (n,Xa)", "value": 207},
{"label": "MT 301 (n,heat)", "value": 301},
{"label": "MT 444 (n,damage)", "value": 444},
{"label": "MT 649 (n,pc)", "value": 649},
{"label": "MT 699 (n,dc)", "value": 699},
{"label": "MT 749 (n,tc)", "value": 749},
{"label": "MT 799 (n,3Hec)", "value": 799},
{"label": "MT 849 (n,ac)", "value": 849},
{"label": "MT 891 (n,2nc)", "value": 891},
{"label": "MT 901 (n,displacement NRT)", "value": 901},
]
for i in range(50, 91):
reaction_names.append({"label": f"MT {i} (n,n{i-50})", "value": i})
# {'label[, ''MT '+str(i)+' (n,p{})'.format(i - 600) for i in range(600, 649)] + 'value':\ '+},
# {'label[, ''MT '+str(i)+' (n,d{})'.format(i - 650) for i in range(650, 699)] + 'value':\ '+},
# {'label[, ''MT '+str(i)+' (n,t{})'.format(i - 700) for i in range(700, 749)] + 'value':\ '+},
# {'label[, ''MT '+str(i)+' (n,3He{})'.format(i - 750) for i in range(750, 799)] + 'value':\ '+},
# {'label[, ''MT '+str(i)+' (n,a{})'.format(i - 800) for i in range(800, 849)] + 'value':\ '+},
# {'label[, ''MT '+str(i)+' (n,2n{})'.format(i - 875) for i in range(875, 891) 'value':] '+},