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15 lines
455 B
Python
15 lines
455 B
Python
import ctypes
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rdk = ctypes.cdll.LoadLibrary('./lib/librdkitcffi.so')
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rdk.get_smiles.argtypes = [ctypes.c_void_p, ctypes.c_size_t, ctypes.c_char_p]
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rdk.get_smiles.restype = ctypes.c_char_p
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rdk.get_mol.restype = ctypes.c_void_p
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rdk.free_ptr.argtypes = [ctypes.c_void_p]
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sz = ctypes.c_size_t()
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mol = rdk.get_mol(b'CCC(O)C(C(=O)O)C', ctypes.byref(sz), b'')
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smi = rdk.get_smiles(mol, sz, b'')
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assert (smi == b'CCC(O)C(C)C(=O)O')
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print(smi)
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rdk.free_ptr(mol)
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