Sorry, this task of the generic formatted file is far more complicated
than I thought. It's structure should be modelled after the
generic_fns.value.read() function, as this takes a similarly formatted
file. Flexibility here is key - any int arguments for the
mol_name_col, res_num_col, res_name_col, spin_num_col, spin_name_col
should be acceptable. I.e. you can put this information at the end of
the file if you are crazy enough. But most of the code in
generic_fns.value.read() can be used. It just needs to be shifted
into functions of generic_fns.spectrum such as
number_of_header_lines() and intensity_generic().
In the future I might write some functions in generic_fns.mol_res_spin
to parse any spin specific but generically formatted file. But for
now, the generic_fns.value.read() function needs to be mimicked. This
is an insanely complex task, considering the additional flexibility I
talked about in
https://mail.gna.org/public/relax-devel/2008-12/msg00016.html
especially the automatic reading with the spin specific columns being
allowed to be anywhere. So if you think this is too much, I can take
over at any point.
Regards,
Edward
On Thu, Dec 4, 2008 at 7:30 PM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Thu Dec 4 19:30:11 2008
New Revision: 8138
URL: http://svn.gna.org/viewcvs/relax?rev=8138&view=rev
Log:
Modified the autodetection code for the generic format.
This now recognizes the most generic format as in
'test_suite/shared_data/peak_lists/generic_intensity2.txt'.
Modified:
1.3/generic_fns/spectrum.py
Modified: 1.3/generic_fns/spectrum.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/spectrum.py?rev=8138&r1=8137&r2=8138&view=diff
==============================================================================
--- 1.3/generic_fns/spectrum.py (original)
+++ 1.3/generic_fns/spectrum.py Thu Dec 4 19:30:11 2008
@@ -254,7 +254,7 @@
break
# Generic format.
- if line[0] in ['mol_name', 'res_num', 'res_name', 'spin_num',
'spin_name']:
+ if line[0] in ['mol_name', 'res_num', 'res_name', 'spin_num',
'spin_name'] or line[0] in ['Num', 'Name']:
return 'generic'
# Sparky format.
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Re: r8138 - /1.3/generic_fns/spectrum.py