I've just commited the change. I think it works like you suggest. I just realise I should probably add a note to that effect in the doc string...
- Noel On 24 September 2011 14:08, Chris Morley <c.mor...@gaseq.co.uk> wrote: > An InChIKeyFormat seems like a good idea for the casual user. Doing it like > InChICompareFormat would leave all the other InChIFormat options still > available on the command line for the enthusiasts, who would be sure to ask > for any options that haven't been implemented. > > Chris > > On 19/09/2011 11:21, Noel O'Boyle wrote: >> >> Hi Chris, >> >> What do you think about having the InChIKey available as a separate >> format? It seems like it's becoming increasingly popular to merit >> this. >> >> I can make the changes, if you agree. >> >> - Noel > > ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2dcopy2 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
