Hi, Ok, I'll have a look at this, probably after fixing up how relax handles different molecules verses different conformations of the same molecule (molecules verses models). I might have to create a special branch for this code too, as it will break many things while under development.
Regards, Edward On Tue, Dec 23, 2008 at 5:16 PM, Sébastien Morin <[email protected]> wrote: > Hi Ed, > > I tried to have a look at the code to try to implement what we discussed > concerning the generic format... However, I'm a bit confused and would > prefer to let you do it... > > Is that right for you ? > > Thanks for proposing me to implement this, but I'm still not an expert > in python and algorithmics and this seems a bit too much for me right now... > > Enjoy the Christmas Holidays ! > > Regards, > > > Sébastien :) > > > > > Edward d'Auvergne wrote: >> On Fri, Dec 5, 2008 at 8:19 PM, Sébastien Morin >> <[email protected]> wrote: >> >>> Hi Edward, >>> >>> I agree with you. I had not think about all the other files in relax >>> since I was so focused on the 'generic' file... but your idea of >>> implementing this at a higher level is quite logical and would give much >>> more flexibility to relax. Maybe we could create a branch for this, as >>> you proposed... >>> >>> Concerning the generic format, what do you think we should do ? Should >>> we just introduce variables so the user tells relax in which column >>> things are..? The user could also tell that he uses the generic format, >>> as well as how many header lines there are, etc... In fact, the user >>> could, for now (until we get the automatic recognition stuff working), >>> tell everything concerning the formatting of his file... What do you think ? >>> >> >> I think it would be best to do what all the other code does for now >> and require the user to specify all columns manually. That could be >> the test for the generic format for now, that some of the columns have >> been specified, so that we can still automatically determine the file >> format. This automatic format determination is specific to the >> generic_fns.spectrum code and not that special data object I >> previously talked about. In the future, the test could be to pass the >> file into this data object as a last resort if no other format is >> found, and if a RelaxError occurs, catch it and throw a different >> RelaxError stating that the automatic file format determination >> failed. >> >> >> >>> Lots of work ahead ! >>> >> >> Like I said, this is not a simple task ;) >> >> Regards, >> >> Edward >> >> > > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
