Re: [Rdkit-discuss] Attribute Error about PandasTools

[Taka S. <ser...@gm...>]

Dier Niko,

Thank you for your quick reply.
I tried to use pandas 0.18.0 and I work fine. ;-)

Best regards,
Takayuki


2016年6月2日(木) 3:13 Nikolas Fechner <me...@fe...>:

> Hi Takayuki,
> It seems that the respective piece of the pandas API got restructured for
> 0.18.1 and that the “format" module got moved from pandas.core to
> pandas.formats:
>
> Example change from the pandas github:
>
> -        from pandas.core import format as fmt
> +        from pandas.formats import format as fmt
>
> I can reproduce the error in pandas 0.18.1, but switching back to pandas
> 0.18.0 seems to fix the error, thus going back to pandas 0.18.0 is
> certainly the easiest option.
> However, I guess if the changed import path is the only problem with
> 0.18.1 this could probably easily be fixed in PandasTools directly.
>
> Kind regards,
> Niko
>
>
> On 01 Jun 2016, at 16:31, Taka Seri <ser...@gm...> wrote:
>
> > Dier RDKitters,
> >
> > I want to handle sdf as DataFrame.
> > But when I read molecule from SDF using PandasTools, I got following
> Error.
> >
> > from rdkit import Chem
> >
> >
> > from rdkit.Chem import PandasTools
> >
> > df = PandasTools.LoadSDF("testset.sdf")
> >
> > df
> >
> > ....
> >
> > --> 131   formatter =
> pd.core.format.DataFrameFormatter(self,buf=None,columns=None,col_space=None,colSpace=None,header=True,index=True,
> >
> >     132
> na_rep='NaN',formatters=None,float_format=None,sparsify=None,index_names=True,
> >
> >     133                                                justify = None,
> force_unicode=None,bold_rows=True,classes=None,escape=False)
> >
> > AttributeError: module 'pandas.core' has no attribute 'format'
> >
> > ...
> >
> > My environment is python3.5. And I installed rdkit using conda install
> command.
> >
> > Version of Pandas is 0.18.1
> >
> > I wonder if you could give me some advice.
> >
> > Thanks.
> >
> > Takayuki
> >
> >
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