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 <greg...@gerebtzoff.com> wrote: > 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, Samo Turk wrote: > > 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 < > greg...@gerebtzoff.com> wrote: > >> 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/PHPExcel/blob/master/Worksheet/MemoryDrawing.php >> ) >> The interesting bit: >> public function __construct() >> { >> // Initialise values >> $this->_imageResource = null; >> $this->_renderingFunction = self::RENDERING_DEFAULT; >> $this->_mimeType = self::MIMETYPE_DEFAULT; >> $this->_uniqueName = md5(rand(0, 9999). time() . >> rand(0, 9999)); >> >> // Initialize parent >> parent::__construct(); >> } >> >> Thus I'm pretty sure you can use the same trick in python XlsxWriter >> (have a look at the _add_image_files function in packager.py), using a >> random file name and a bit stream to the image, as described here: >> http://xlsxwriter.readthedocs.org/en/latest/example_images_bytesio.html#ex-images-bytesio >> : >> >> filename = 'python.png' >> image_file = open(filename, 'rb') >> image_data = BytesIO(image_file.read()) >> image_file.close() >> # Write the byte stream image to a cell. The filename must be specified. >> worksheet.insert_image('B8', filename, {'image_data': image_data}) >> >> At least it's worth a try! >> Another trick I had to do both with PHPExcel and in VBA was to set the >> width of columns three times to make sure that it was actually correct. >> Don't ask me why... Just in case you face some width issues. >> >> Good luck! >> >> Grégori >> >> >> >> On 30. 10. 14 16:49, Samo Turk wrote: >> >> Hi rdkiters, >> >> Due to popular demand I started to work on a function to export pandas >> DataFrame to xlsx with molecule images embedded. >> Because of the xlsx specifics the code is not optimal. The most annoying >> thing about this implementation is that it has to write all images to the >> hard drive, before it packs them in xlsx (and deletes them at the end). I >> checked two python xlsx libraries and both save images that way. If someone >> finds better solution, please share it. >> >> The dimensions of cells with images are not optimal because Excel is >> weird. :) From xlsxwriter docs): "The width corresponds to the column width >> value that is specified in Excel. It is approximately equal to the length >> of a string in the default font of Calibri 11. Unfortunately, there is no >> way to specify “AutoFit” for a column in the Excel file format." >> >> It crashes if value of a cell is of wrong type so use >> df['value'].astype() to fix incorrectly assigned types. >> >> Resulting files work nicely in Office 365 (standalone and web app), but >> for some reason don't work optimally with LibreOffice (after row ~125 it >> stacks all images). >> >> I made a pull request on GitHub: >> https://github.com/rdkit/rdkit/pull/371 >> Demo: >> http://nbviewer.ipython.org/github/Team-SKI/snippets/blob/master/IPython/rdkit_hackaton/XLSX%20export.ipynb >> Demo xlsx file: >> https://github.com/Team-SKI/snippets/blob/master/IPython/rdkit_hackaton/demo.xlsx >> >> Regards, >> Samo >> >> >> >> ------------------------------------------------------------------------------ >> >> >> >> _______________________________________________ >> Rdkit-discuss mailing >> listRdkit-discuss@lists.sourceforge.nethttps://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >> >> >> >> ------------------------------------------------------------------------------ >> >> _______________________________________________ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >> > >
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