Seb,
Now that I've started development in the 'spectral_errors' branch, it
might be worth watching what happens there and if any changes you make
for the support of the various peak list formats will clash. In this
branch I've deleted the 'noe' user function class and will absorb part
of the 'relax_fit' class into the new 'spectrum' class. I will also
shift code from specific_fns.relax_fit into the
generic_fns.intensities module. So it would be best if this code does
not change in the 1.3 line. Eventually I will rename
generic_fns.intensities to generic_fns.spectrum, but will wait as that
will cause many problems if you make changes to this file in the 1.3
line. Maybe for the completion of the peak list support, especially
the generic format, it would be better if you switched development to
this branch? I will soon be adding the mol_name, res_num, res_name,
spin_num, spin_name, and sep args to spectrum.read_intensities(), so
you might benefit from this.
Regards,
Edward
P.S. If you do decide to switch, we should organise a time when I
rename generic_fns.intensities to generic_fns.spectrum. Then we can
both work on the code - from the different angles of generalising and
supporting more error analysis types
(https://mail.gna.org/public/relax-users/2008-10/msg00059.html) and
supporting the numerous peak list or intensity list formats - without
having the file disappear from the repository while you are working on
it.
Development of the 'spectral_errors' branch and support for the Sparky, XEasy, NMRView, and generic peak lists.