On 16/09/2011 19:25, Chris Morley wrote: > On 16/09/2011 14:32, Noel O'Boyle wrote: >> Hi Chris, >> >> Earlier in the year there were a couple of suggestions for conversion >> features; one for splitting sdf files into chunks, and the other for >> using the filename as a descriptor. What do you think about these?
> Adding a descriptor with the input file name sounds easy, but > descriptors are about the properties of molecules and do not have access > to OBConversion which holds the filename. There are ways round this, the > simplest being an op --appendfilename. It sort of breaks the pattern but > I'll have a go. --addfilename (named like the other conversion-related options --addinindex --addoutindex) is now in the development code. The filename has any path removed from it, which I hope is appropriate. Chris ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA http://p.sf.net/sfu/rim-devcon-copy2 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
