def isotopes_distribution(self):
return FrozenDict({
96: 0.0554,
98: 0.0187,
99: 0.1276,
100: 0.126,
101: 0.1706,
102: 0.3155,
104: 0.1862
})
def isotopes_masses(self):
return FrozenDict({
184: 183.952491,
186: 185.953838,
187: 186.955748,
188: 187.955836,
189: 188.958145,
190: 189.958445,
192: 191.961479
})
def isotopes_distribution(self):
return FrozenDict({
184: 0.0002,
186: 0.0159,
187: 0.0196,
188: 0.1324,
189: 0.1615,
190: 0.2626,
192: 0.4078
})
def isotopes_masses(self):
return FrozenDict({
64: 63.929147,
66: 65.926037,
67: 66.927131,
68: 67.924848,
70: 69.925325,
62: 61.934330,
69: 68.926550
})
def isotopes_masses(self):
return FrozenDict({
168: 167.933894,
170: 169.934759,
171: 170.936322,
172: 171.936378,
173: 172.938207,
174: 173.938858,
176: 175.942568
})
def isotopes_masses(self):
return FrozenDict({
96: 95.907598,
98: 97.905287,
99: 98.905939,
100: 99.90422,
101: 100.905582,
102: 101.904349,
104: 103.90543
})
def isotopes_masses(self):
return FrozenDict({
156: 155.924278,
158: 157.924405,
160: 159.925194,
161: 160.92693,
162: 161.926795,
163: 162.928728,
164: 163.929171
})
def isotopes_distribution(self):
return FrozenDict({
168: 0.0013,
170: 0.0304,
171: 0.1428,
172: 0.2183,
173: 0.1613,
174: 0.3183,
176: 0.1276
})
def isotopes_masses(self):
return FrozenDict({
152: 151.919788,
154: 153.920862,
155: 154.922619,
156: 155.92212,
157: 156.923957,
158: 157.924101,
160: 159.927051
})
def isotopes_distribution(self):
return FrozenDict({
156: 0.0006,
158: 0.001,
160: 0.0234,
161: 0.1891,
162: 0.2551,
163: 0.249,
164: 0.2818
})
def isotopes_distribution(self):
return FrozenDict({
152: 0.002,
154: 0.0218,
155: 0.148,
156: 0.2047,
157: 0.1565,
158: 0.2484,
160: 0.2186
})
def isotopes_masses(self):
return FrozenDict({
144: 143.911995,
147: 146.914893,
148: 147.914818,
149: 148.91718,
150: 149.917271,
152: 151.919728,
154: 153.922205
})
def isotopes_distribution(self):
return FrozenDict({
144: 0.0307,
147: 0.1499,
148: 0.1124,
149: 0.1382,
150: 0.0738,
152: 0.2675,
154: 0.2275
})
def isotopes_masses(self):
return FrozenDict({
142: 141.907719,
143: 142.90981,
144: 143.910083,
145: 144.912569,
146: 145.913112,
148: 147.916889,
150: 149.920887
})
def isotopes_distribution(self):
return FrozenDict({
64: 0.4863,
66: 0.279,
67: 0.041,
68: 0.1875,
70: 0.0062,
62: 0.,
69: 0.
})
def isotopes_distribution(self):
return FrozenDict({
142: 0.272,
143: 0.122,
144: 0.238,
145: 0.083,
146: 0.172,
148: 0.057,
150: 0.056
})
def isotopes_distribution(self):
return FrozenDict({
120: 0.0009,
122: 0.0255,
123: 0.0089,
124: 0.0474,
125: 0.0707,
126: 0.1884,
128: 0.3174,
130: 0.3408
})
def isotopes_masses(self):
return FrozenDict({
120: 119.90402,
122: 121.903047,
123: 122.904273,
124: 123.90282,
125: 124.904425,
126: 125.903306,
128: 127.904461,
130: 129.906223
})
def isotopes_masses(self):
return FrozenDict({
74: 73.922477,
76: 75.919214,
77: 76.919915,
78: 77.91731,
80: 79.916522,
82: 81.9167,
73: 72.926765,
75: 74.922523
})
def isotopes_distribution(self):
return FrozenDict({
74: 0.0089,
76: 0.0937,
77: 0.0763,
78: 0.2377,
80: 0.4961,
82: 0.0873,
73: 0.,
75: 0.
})
def isotopes_masses(self):
return FrozenDict({
92: 91.90681,
94: 93.905088,
95: 94.905841,
96: 95.904679,
97: 96.906021,
98: 97.905408,
100: 99.907477,
99: 98.907712
})
def isotopes_distribution(self):
return FrozenDict({
92: 0.1484,
94: 0.0925,
95: 0.1592,
96: 0.1668,
97: 0.0955,
98: 0.2413,
100: 0.0963,
99: 0.
})
def isotopes_masses(self):
return FrozenDict({
102: 101.905608,
104: 103.904035,
105: 104.905084,
106: 105.903483,
108: 107.903894,
110: 109.905152,
103: 102.906087,
109: 108.905950
})
def isotopes_masses(self):
return FrozenDict({
106: 105.906458,
108: 107.904183,
110: 109.903006,
111: 110.904182,
112: 111.902757,
113: 112.904401,
114: 113.903358,
116: 115.904755
})
def isotopes_distribution(self):
return FrozenDict({
102: 0.0102,
104: 0.1114,
105: 0.2233,
106: 0.2733,
108: 0.2646,
110: 0.1172,
103: 0.,
109: 0.
})
def isotopes_distribution(self):
return FrozenDict({
106: 0.0125,
108: 0.0089,
110: 0.1249,
111: 0.128,
112: 0.2413,
113: 0.1222,
114: 0.2873,
116: 0.0749
})
def isotopes_masses(self):
return FrozenDict({
196: 195.965815,
198: 197.966752,
199: 198.968262,
200: 199.968309,
201: 200.970285,
202: 201.970626,
204: 203.973476,
197: 196.967213,
203: 202.972873
})
def isotopes_distribution(self):
return FrozenDict({
124: 0.0009,
126: 0.0009,
128: 0.0192,
129: 0.2644,
130: 0.0408,
131: 0.2118,
132: 0.2689,
134: 0.1044,
136: 0.0887
})
def isotopes_masses(self):
return FrozenDict({
124: 123.905896,
126: 125.904269,
128: 127.90353,
129: 128.904779,
130: 129.903508,
131: 130.905082,
132: 131.904155,
134: 133.905394,
136: 135.90722
})
def not_special_connectivity(self) -> Dict[int, FrozenSet[int]]:
"""
Graph connectivity without special bonds.
"""
bonds = {}
for n, ms in self._bonds.items():
ngb = set()
for m, b in ms.items():
if b != 8:
ngb.add(m)
bonds[n] = frozenset(ngb)
return FrozenDict(bonds)
