mailRe: [sr #3043] Support for NMRPipe seriesTab format *.ser


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Posted by Edward d'Auvergne on August 02, 2013 - 20:47:
True, I missed that.  The logic works :)  Please ignore my last message.

Regards,

Edward



On 2 August 2013 20:39, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
Since the continue out of the for loop is not adding to the j counter,
this is not necessary.

I just tried shuffling the ?-? entries around, and it still passes the test.

I keep it as it is.

Best
Troels


2013/8/2 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
One last thing with this stab.patch.tar.gz file is the patch
0007-Remove-from-datalist-where-empty-list-starts.-These-.patch (git
hash d93f482da70497cee71e8b8a69580255617cea20).  This is not the best
solution and will cause failures when the ?-? assignment is in a
different positions in the list, as can happen.  I would suggest
instead at the check:

            # Skip non-assigned peaks.
            if line[ass_i] == '?-?':

To add straight after this something like "data_all.pop(j)".  This
should remove the unwanted elements in data_all each time the ?-?
assignment is encountered.  That allows the ?-? assignment to be
anywhere in the file.  What do you think?

Cheers,

Edward


On 2 August 2013 17:29, Troels E. Linnet
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #53, sr #3043 (project relax):

Multi colums import now supported.

Note, I made it possible to autogenerate spectrum ID's, if
 spectrum_id='auto' for the function:

spectrum.read_intensities(file="seriesTab_multi.ser", 
dir=status.install_path
+ sep+'test_suite'+sep+'shared_data'+sep+'peak_lists', spectrum_id='auto',
int_method='point sum')

(file #18619)
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File name: stab.patch.tar.gz              Size:4 KB


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