Keeping everyone on the thread..
---------- Forwarded message ----------
From: "Robert DeLisle" <rkdeli...@gmail.com>
Date: Apr 19, 2011 3:42 PM
Subject: Re: Re: Re: [Rdkit-discuss] Bug in MolToFile?
To: "Greg Landrum" <greg.land...@gmail.com>
Greg,
Thank you again for the off-line assistance.
Just to update the status for the others out there, the new Draw code does
work in my hands. And, it is as simple as downloading just the
/rdkit/Chem/Draw directory from the SourceForge svn trunk and copying it
into the existing source tree.
Downloading that same directory from the Google Code trunk isn't very useful
- oops.
-Kirk
On Tue, Apr 19, 2011 at 12:43 PM, Greg Landrum <greg.land...@gmail.com>wrote:
> Hi Kirk,
>
> On Tue, Apr 19, 2011 at 6:46 PM, <rkdeli...@gmail.com> wrote:
> > Hmmmm....
> >
> > I just repeated the process - I copied the most recent release to a new
> > directory, copied in the rdkit/Chem/Draw directory from SVN, no build
> step
> > this time - I get the same error:
> >
> > Traceback (most recent call last):
> > File "SOMtoHTML_101203.py", line 227, in <module>
> > create_2D_depiction()
> > File "SOMtoHTML_101203.py", line 50, in create_2D_depiction
> > Draw.MolToFile(m, picture_parent_folder+'/'+name+'.png', (picture_size,
> > picture_size) )
> > File "/opt/RDKit_2011_03_1_up1/rdkit/Chem/Draw/__init__.py", line 56, in
> > MolToFile
> > import cairo
> > ImportError: No module named cairo
> >
> >
> > I looked at the __init.py__ file from the SVN set and I see this:
> >
> > def MolToFile(mol,fileName,size=(300,300),kekulize=True,
> wedgeBonds=True):
> > # original contribution from Uwe Hoffmann
> > import cairo
> >
> > Line 56 is "import cairo"
>
> I'm really confused...
> Here:
>
> http://rdkit.svn.sourceforge.net/viewvc/rdkit/trunk/rdkit/Chem/Draw/__init__.py?revision=1712&view=markup
> it's different
>
> If you go to that directory and do: "svn info" what do you see?
>
> >
> > def MolToImageFile occurs on line 100.
> >
> > What have I done wrong here? Has anyone else out there tested it?
>
> I haven't heard back from anyone yet.
>
> -greg
>
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