Re: [Rdkit-discuss] Export pandas DataFrame to xlsx with molecule images

2014-11-04 Thread Samo Turk
Hi Grégori, I tried exactly what you suggested already yesterday but it didn't work. I did find a solution after some fiddling and now it works. https://github.com/rdkit/rdkit/pull/371/files Thanks! On Tue, Nov 4, 2014 at 9:32 AM, Grégori Gerebtzoff wrote: > Hi Samo, > > I don't think you ne

Re: [Rdkit-discuss] Export pandas DataFrame to xlsx with molecule images

2014-11-04 Thread Grégori Gerebtzoff
Hi Samo, I don't think you need temporary files at all; have you tried something like this? from cStringIO import StringIO image_file = StringIO() img = Draw.MolToImage(row[molCol], size=size) img.save(image_file, format='PNG') image_data = image_file.getvalue() Grégori On 03. 11. 14 21:44, S

Re: [Rdkit-discuss] Export pandas DataFrame to xlsx with molecule images

2014-11-03 Thread Samo Turk
Hi Grégori, Thanks for pointing this out. I modified the code and now it writes only one temporary file. Cheers, Samo On Fri, Oct 31, 2014 at 10:56 AM, Grégori Gerebtzoff wrote: > Hi Samo, > > I used a few years ago the PHPExcel library to put images into an Excel > file, and it was not neces

Re: [Rdkit-discuss] Export pandas DataFrame to xlsx with molecule images

2014-10-31 Thread Grégori Gerebtzoff
Hi Samo, I used a few years ago the PHPExcel library to put images into an Excel file, and it was not necessary to use physical files. Having a quick look at the library I found this class (probably the one I used): PHPExcel_Worksheet_MemoryDrawing (source code: https://github.com/clariondoor/