Thanks Greg!
I find the pandas support to be a big boon, so I really appreciate that you
are maintaining it!
Regards,
Nathan
On Sun, Jun 19, 2016 at 7:45 PM, Greg Landrum <greg.land...@gmail.com>
wrote:
> Dear Nathan,
>
> This came up a while ago on the list:
> http://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg05625.html
> It has been fixed: https://github.com/rdkit/rdkit/issues/933 and will be
> part of the next patch release.
>
> In the meantime the easiest solution is probably to downgrade to pandas
> 0.18.0 in conda. The command for that is:
> conda install pandas=0.18.0
>
> Best,
> -greg
>
>
> On Sun, Jun 19, 2016 at 6:29 PM, Nathan Lloyd <nat...@gmail.com> wrote:
>
>> If I add mol to pandas dataframe and try to visualize in table format
>> using
>> from rdkit.Chem.Draw import IPythonConsole
>> and either
>> PandasTools.RenderImagesInAllDataFrames(images=True)
>> or
>> PandasTools.ChangeMoleculeRendering(frame)
>> I get the following error:
>>
>> ---------------------------------------------------------------------------AttributeError
>> Traceback (most recent call
>> last)/Users/nathan/anaconda/envs/cndapy3b/lib/python3.5/site-packages/IPython/core/formatters.py
>> in __call__(self, obj) 341 method =
>> _safe_get_formatter_method(obj, self.print_method) 342 if
>> method is not None:--> 343 return method() 344
>> return None 345 else:
>> /Users/nathan/anaconda/envs/cndapy3b/lib/python3.5/site-packages/pandas/core/frame.py
>> in _repr_html_(self) 566 567 return
>> self.to_html(max_rows=max_rows, max_cols=max_cols,--> 568
>> show_dimensions=show_dimensions, notebook=True) 569
>> else: 570 return None
>> /Users/nathan/anaconda/envs/cndapy3b/lib/python3.5/site-packages/rdkit/Chem/PandasTools.py
>> in patchPandasHTMLrepr(self, **kwargs) 129 Patched default escaping of
>> HTML control characters to allow molecule image rendering dataframes 130
>> '''--> 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'
>>
>>
>> This was on a clean install done today via conda. mol data frame was
>> added using MolFromInchi.
>> Am I doing something wrong, or should I file a bug report?
>>
>> Thanks and regards,
>> Nathan
>>
>>
>>
>>
>>
>>
>>
>>
>>
>> ------------------------------------------------------------------------------
>> What NetFlow Analyzer can do for you? Monitors network bandwidth and
>> traffic
>> patterns at an interface-level. Reveals which users, apps, and protocols
>> are
>> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
>> J-Flow, sFlow and other flows. Make informed decisions using capacity
>> planning
>> reports. http://sdm.link/zohomanageengine
>> _______________________________________________
>> Rdkit-discuss mailing list
>> Rdkit-discuss@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>>
>>
>
------------------------------------------------------------------------------
What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
patterns at an interface-level. Reveals which users, apps, and protocols are
consuming the most bandwidth. Provides multi-vendor support for NetFlow,
J-Flow, sFlow and other flows. Make informed decisions using capacity planning
reports. http://sdm.link/zohomanageengine
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
