Happy new year Greg...
I have checked out the trunk and tested Chem.ForwardSDMolSupplier on my
huge file and it worked fine (on my previously failing 7GB file).
It might be a good idea to update the class documentation at
http://www.rdkit.org/new_docs/api/rdkit.Chem.rdmolfiles.ForwardSDMolSupplier-class.html
Say usage examples and a note or two about using this class when handling
large files.
I want to test the zip/gzip/bzip functionality (passing a compressed
"file-like" object to SDMolSupplier, SDWriter, etc) - but I cannot find the
documentation in /trunk/Docs/code/C++ or Python. This was
the intuitive place to look for it - where is it, please?
Many thanks for your work on RDKit in 2011, you don't need to be told but
you did a fantastic job.
-
Jean-Paul Ebejer
Early Stage Researcher
On 9 December 2011 15:04, Greg Landrum <[email protected]> wrote:
>
> On Friday, December 9, 2011, JP <[email protected]> wrote:
> >
> > On 9 December 2011 05:07, Greg Landrum <[email protected]> wrote:
> >>
> >> I also checked in modifications to the SDWriter, SmilesWriter, and
> >> TDTWriter classes so that they can now write to file-like objects as
> >> well as named files. This means you can directly generate gzipped SD
> >> files or SD text from within python.
> >>
> >
> > This so welcome and awesome -- adieu to my code which writes to a mega
> SD file (takes a couple of minutes), zips the
> > SD file (another couple of minutes) and deletes the original SD file (a
> few seconds)
>
> It would be awesome if you could take a look at the functionality that is
> there and let me know if it works for you and covers what you need.
>
> -greg
------------------------------------------------------------------------------
Write once. Port to many.
Get the SDK and tools to simplify cross-platform app development. Create
new or port existing apps to sell to consumers worldwide. Explore the
Intel AppUpSM program developer opportunity. appdeveloper.intel.com/join
http://p.sf.net/sfu/intel-appdev
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
