test_pharmacophores.py 文件源码

def example1_sdfile():
    body = b'''
 OpenBabel07051617103D

 14  0  0  0  0  0  0  0  0  0999 V2000
   22.5699   -6.3076   36.8593 O   0  6  0  0  0
   23.7871   -3.9004   36.3395 P   0  7  0  0  0
   23.7871   -3.9004   36.3395 P   0  7  0  0  0
   23.1923   -6.6223   36.0325 P   0  7  0  0  0
   23.1923   -6.6223   36.0325 P   0  7  0  0  0
   18.7201   -9.8937   40.4312 As  0  7  0  0  0
   18.3503   -9.5392   39.3836 Ne  0  0  0  0  0
   20.4171  -10.6185   40.3362 Ne  0  0  0  0  0
   19.7922   -6.5243   39.4320 He  0  0  0  0  0
   17.9406   -2.4043   34.9401 O   0  6  0  0  0
   14.6641   -7.4275   36.2138 As  0  7  0  0  0
   15.4420   -8.2931   36.1398 Ne  0  0  0  0  0
   14.4007   -6.8416   35.2404 Ne  0  0  0  0  0
   22.3608   -5.1679   39.2345 Rn  0  0  0  0  0
M  CHG  8   1  -2   2  -3   3  -3   4  -3   5  -3   6  -3  10  -2  11  -3
M  END
$$$$
'''
    return BytesIO(body)