Hi Steve,
Thanks for pointing this out.
Brian fixed this on master a while ago (
https://github.com/rdkit/rdkit/pull/1410) and we will have the fix in the
2017.03.2 patch release (coming, hopefully, next week).
Here's a quick demo that it actually works:
In [2]: pandas.__version__
Out[2]: '0.20.1'
In [3]: from rdkit.Chem import PandasTools
In [4]:
Best,
-greg
On Fri, Jun 2, 2017 at 1:20 AM, Steven Wilkens <swilk...@gmail.com> wrote:
> This may have already been addressed in the next release, but I wanted to
> be sure. It appears that Pandas was refactored in the 0.20.1 release in a
> way that breaks PandasTools:
>
> Python 3.6.1 |Continuum Analytics, Inc.| (default, May 11 2017, 13:25:24)
> [MSC v.1900 64 bit (AMD64)] on win32
> Type "help", "copyright", "credits" or "license" for more information.
> >>> import pandas as pd
> >>> print('pandas version: ' + pd.__version__)
> pandas version: 0.20.1
> >>> from rdkit.Chem import PandasTools
> Traceback (most recent call last):
> File
> "C:\miniconda3\envs\rdkit-2017_03_1\lib\site-packages\rdkit\Chem\PandasTools.py",
> line 152, in <module>
> from pandas.formats import format as fmt
> ImportError: cannot import name 'format'
>
> During handling of the above exception, another exception occurred:
>
> Traceback (most recent call last):
> File "<stdin>", line 1, in <module>
> File
> "C:\miniconda3\envs\rdkit-2017_03_1\lib\site-packages\rdkit\Chem\PandasTools.py",
> line 154, in <module>
> from pandas.core import format as fmt # older versions
> ImportError: cannot import name 'format'
>
> In particular, format.py was moved from pandas/formats to
> pandas/io/formats. An immediate quick fix is to copy
> pandas/io/formats/format.py to pandas/formats.
>
> Cheers,
> Steve
>
> ------------------------------------------------------------
> ------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
>
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
