URL:
<http://gna.org/bugs/?20889>
Summary: Multiple intensity columns from a Custom Peak
intensity file, blocks the subsequent calls to GUI functions
Project: relax
Submitted by: tlinnet
Submitted on: Tue 11 Jun 2013 10:45:03 AM GMT
Category: relax's source code
Severity: 4 - Important
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: Repository: trunk
Operating System: None
_______________________________________________________
Details:
The multiple intensity column fix to bug: "
https://gna.org/bugs/index.php?20873 "
Made it possible to import several intensity columns, from the a generic file.
But only to make the following auto-GUI steps not working.
After loading intensities, the GUI continues with:
1) Spectrometer_frequency_setup
2) Relaxation_delay_time_setting
3) CPMG_frequency_setting
These GUI'a are now not working, since they by default use the spectrum name
which was least imported.
And for a list of names, it then make a full string name:
spectrum_id=['0_2', '1_0'] -> spectrometer.frequency(id="['0_2', '1_0']"
One would be able with the buttons to skip:
1) Spectrometer_frequency_setup AND
2) Relaxation_delay_time_setting.
But it is not possible to skip
3) CPMG_frequency_setting
and so no import is possible.
It is further not possible to set
time=None
in CPMG_frequency_setting.
"None" is marking the pulse scheme without 180 refocus pulse, and is used as a
reference for intensity proportionality.
------
relax> relax_disp.cpmg_frq(spectrum_id='3_0', cpmg_frq=u'None')
File
"/sbinlab2/software/NMR-relax/relax_disp/specific_analyses/relax_disp/disp_data.py",
line 152, in cpmg_frq
cdp.cpmg_frqs[spectrum_id] = float(cpmg_frq)
ValueError: could not convert string to float: None
------
I suggest that step 1+2+3 is skipped during importing of intensity columns.
A "setup check" button could then call step 1+2+3.
A further wish would be the possible to assign and propagate settings to a
multiple of intensity spectra, since they would highly likely be the same for
a large fraction.
Screenshots and log errors are provided in this reference:
https://gna.org/bugs/index.php?20873
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