mailGeneric intensity file - more or less generic ?


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Posted by Sébastien Morin on December 04, 2008 - 04:00:
Hi,

I've written the code for the reading of the generic intensity file as
formatted in "test_suite/shared_data/peak_lists/generic_intensity.txt"
(revisions 8118 to 8124).

The code now handles a file with the following format :

mol_name    res_num    res_name    spin_num    spin_name    proton   
intensity_1  ...  intensity_n

The number of intensities input is automatically calculated and should
match the number of delays given as input in the used script.

Ok... This is less versatile than proposed in "prompt/spectrum.py" (line
370 and following). However, this is much easier to script and allows
the use of less coding to load the file (more friendly to the user)...
In fact, no "int_col" argument must be given and the file must be loaded
only once to be read entirely...

So... Should we think about making this 'generic' file format even more
'generic' (as suggested in "prompt/spectrum.py", line 370 and following)
or is the current 'generic' format suitable and enough to allow users to
easily input their data ?

Cheers,


Séb   :)




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