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我试图在列上迭代我的函数，但它不能正常工作。你们能告诉我我必须在哪里更正我的代码吗？

那是我的代码

def SmilesToFPS(smiles):
    mol = Chem.MolFromSmiles(smiles)
    fps = FingerprintMols.FingerprintMol(mol)
    #fpSize=1024, minPath=1, maxPath=7,
     #    bitsPerHash=2, useHs=True, 
      #    tgtDensity=0.0, minSize=0, 
       #    branchedPaths=True, useBondOrder=True, 
        #      atomInvariants=0, fromAtoms=0, atomBits=None, bitInfo=None)
    return print(fps.ToBitString()) 

for index, row in df_3.iterrows():

#for i, number in df_3['SmilesCode'].iteritems(): 
#this doesn't work.thats why I used .iterrows
    try:
        fingerprints = SmilesToFPS(smiles)

    except:
        fingerprints = 'ERROR'
    print('\r', row['SmilesCode'], fingerprints, end='')

    smiles_list.append(row['SmilesCode'])
    fingerprint_list.append(fingerprints)

df_4 = pd.DataFrame({'SmilesCode' : smiles_list, 'Fingerprints' : fingerprint_list})

我希望每个 SmilesCode 都有一个位串，但我只会得到每一行/SmilesCode 的错误。定义的函数确实可以工作，但如果我用它来迭代我想要的列，那就不行了！如果我使用 pandas 的 apply() 函数：

df_modDfObj = df_3.apply(SmilesToFPS)

我得到这个错误代码：

ArgumentError：rdkit.Chem.rdmolops.RDKFingerprint(NoneType, int, int, int, int, int, float, int) 中的 Python 参数类型与 C++ 签名不匹配：RDKFingerprint(RDKit::ROMol mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=2, bool useHs=True, double tgtDensity=0.0, unsigned int minSize=128, bool branchedPaths=True, bool useBondOrder=True, boost::python:: api::object atomInvariants=0, boost::python::api::object fromAtoms=0, boost::python::api::object atomBits=None, boost::python::api::object bitInfo=None)

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