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lines changed Original file line number Diff line number Diff line change 1818 list([
1919 'aromaticities',
2020 'aromaticity',
21- 'False ',
21+ 'np.False_ ',
2222 'atom',
2323 <class 'bool'>,
2424 ]),
6060 list([
6161 'charges',
6262 'charge',
63- '0.0',
63+ 'np.float64( 0.0) ',
6464 'atom',
6565 <class 'float'>,
6666 ]),
9595 list([
9696 'epsilon14s',
9797 'epsilon14',
98- '0.0',
98+ 'np.float64( 0.0) ',
9999 'atom',
100100 <class 'float'>,
101101 ]),
102102 list([
103103 'epsilons',
104104 'epsilon',
105- '0.0',
105+ 'np.float64( 0.0) ',
106106 'atom',
107107 <class 'float'>,
108108 ]),
109109 list([
110110 'formalcharges',
111111 'formalcharge',
112- '0.0',
112+ 'np.float64( 0.0) ',
113113 'atom',
114114 <class 'int'>,
115115 ]),
116116 list([
117117 'gbscreens',
118118 'gbscreen',
119- '0.0',
119+ 'np.float64( 0.0) ',
120120 'atom',
121121 <class 'float'>,
122122 ]),
144144 list([
145145 'masses',
146146 'mass',
147- '0.0',
147+ 'np.float64( 0.0) ',
148148 'atom',
149149 <class 'numpy.float64'>,
150150 ]),
179179 list([
180180 'nbindices',
181181 'nbindex',
182- '0 ',
182+ 'np.int32(0) ',
183183 'atom',
184184 <class 'int'>,
185185 ]),
186186 list([
187187 'occupancies',
188188 'occupancy',
189- '0.0',
189+ 'np.float64( 0.0) ',
190190 'atom',
191191 <class 'float'>,
192192 ]),
193193 list([
194194 'radii',
195195 'radius',
196- '0.0',
196+ 'np.float64( 0.0) ',
197197 'atom',
198198 <class 'float'>,
199199 ]),
228228 list([
229229 'rmin14s',
230230 'rmin14',
231- '0.0',
231+ 'np.float64( 0.0) ',
232232 'atom',
233233 <class 'float'>,
234234 ]),
235235 list([
236236 'rmins',
237237 'rmin',
238- '0.0',
238+ 'np.float64( 0.0) ',
239239 'atom',
240240 <class 'float'>,
241241 ]),
249249 list([
250250 'solventradii',
251251 'solventradius',
252- '0.0',
252+ 'np.float64( 0.0) ',
253253 'atom',
254254 <class 'float'>,
255255 ]),
256256 list([
257257 'tempfactors',
258258 'tempfactor',
259- '0.0',
259+ 'np.float64( 0.0) ',
260260 'atom',
261261 <class 'float'>,
262262 ]),
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