Hi there RDKitters, I have a theoretical/general cheminformatics question and a practical one.
In theory, which is better -- having a program which reads/writes everything from stdin/stdout or having the said program read an input file and spit out an output file. Possibly these methods are equivalent, and from one you can do the other (via redirection or use of /dev/stdout as file descriptor etc). One problem I have with the stdin/stdout approach is that then I have to log messages to a file instead of screen, as you do not want the info message "20 molecules in file abc.sdf" to go out in your molecules stream. Which do you find the most usable/user friendly approach? To my practical question now (and I'd like this answered, if possible irrespective of the above). I would like to access the SDMolSupplier (std::istream *inStream, ...) method - to feed the SDMolSupplier from stdin (e.g. cat abc.sdf | myprog.py ) how do I go about doing that in python; the following bit of code does not work: suppl = Chem.SDMolSupplier(sys.stdin.readlines(), sanitize=False) Thank you all, lovely people. Jean-Paul Ebejer Early Stage Researcher ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA The must-attend event for mobile developers. Connect with experts. Get tools for creating Super Apps. See the latest technologies. Sessions, hands-on labs, demos & much more. Register early & save! http://p.sf.net/sfu/rim-blackberry-1 _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
