Author: bugman
Date: Thu Oct 31 10:54:43 2013
New Revision: 21357
URL: http://svn.gna.org/viewcvs/relax?rev=21357&view=rev
Log:
Fixes for the Relax_disp.test_hansen_cpmg_data_auto_analysis_r2eff system
test.
This is for the changes in the relax_disp.r2eff_read user function.
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py?rev=21357&r1=21356&r2=21357&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py
Thu Oct 31 10:54:43 2013
@@ -52,43 +52,53 @@
spin.name(name='N')
spin.isotope(isotope='15N')
-# The spectral data - R2eff file name, CPMG frequency (Hz), spectrometer
frequency in Hertz.
+# The spectral data - experiment ID, R2eff file name, CPMG frequency (Hz),
spectrometer frequency in Hertz.
data = [
- ['500_66.67.r2eff', 66.6666, 500e6],
- ['500_133.33.r2eff', 133.3333, 500e6],
- ['500_200.00.r2eff', 200.0000, 500e6],
- ['500_266.67.r2eff', 266.6666, 500e6],
- ['500_333.33.r2eff', 333.3333, 500e6],
- ['500_400.00.r2eff', 400.0000, 500e6],
- ['500_466.67.r2eff', 466.6666, 500e6],
- ['500_533.33.r2eff', 533.3333, 500e6],
- ['500_600.00.r2eff', 600.0000, 500e6],
- ['500_666.67.r2eff', 666.6666, 500e6],
- ['500_733.33.r2eff', 733.3333, 500e6],
- ['500_800.00.r2eff', 800.0000, 500e6],
- ['500_866.67.r2eff', 866.6666, 500e6],
- ['500_933.33.r2eff', 933.3333, 500e6],
- ['500_1000.00.r2eff', 1000.0000, 500e6],
- ['800_66.67.r2eff', 66.6666, 800e6],
- ['800_133.33.r2eff', 133.3333, 800e6],
- ['800_200.00.r2eff', 200.0000, 800e6],
- ['800_266.67.r2eff', 266.6666, 800e6],
- ['800_333.33.r2eff', 333.3333, 800e6],
- ['800_400.00.r2eff', 400.0000, 800e6],
- ['800_466.67.r2eff', 466.6666, 800e6],
- ['800_533.33.r2eff', 533.3333, 800e6],
- ['800_600.00.r2eff', 600.0000, 800e6],
- ['800_666.67.r2eff', 666.6666, 800e6],
- ['800_733.33.r2eff', 733.3333, 800e6],
- ['800_800.00.r2eff', 800.0000, 800e6],
- ['800_866.67.r2eff', 866.6666, 800e6],
- ['800_933.33.r2eff', 933.3333, 800e6],
- ['800_1000.00.r2eff', 1000.0000, 800e6]
+ ['500_66.67', '500_66.67.r2eff', 66.6666, 500e6],
+ ['500_133.33', '500_133.33.r2eff', 133.3333, 500e6],
+ ['500_200.00', '500_200.00.r2eff', 200.0000, 500e6],
+ ['500_266.67', '500_266.67.r2eff', 266.6666, 500e6],
+ ['500_333.33', '500_333.33.r2eff', 333.3333, 500e6],
+ ['500_400.00', '500_400.00.r2eff', 400.0000, 500e6],
+ ['500_466.67', '500_466.67.r2eff', 466.6666, 500e6],
+ ['500_533.33', '500_533.33.r2eff', 533.3333, 500e6],
+ ['500_600.00', '500_600.00.r2eff', 600.0000, 500e6],
+ ['500_666.67', '500_666.67.r2eff', 666.6666, 500e6],
+ ['500_733.33', '500_733.33.r2eff', 733.3333, 500e6],
+ ['500_800.00', '500_800.00.r2eff', 800.0000, 500e6],
+ ['500_866.67', '500_866.67.r2eff', 866.6666, 500e6],
+ ['500_933.33', '500_933.33.r2eff', 933.3333, 500e6],
+ ['500_1000.00', '500_1000.00.r2eff', 1000.0000, 500e6],
+ ['800_66.67', '800_66.67.r2eff', 66.6666, 800e6],
+ ['800_133.33', '800_133.33.r2eff', 133.3333, 800e6],
+ ['800_200.00', '800_200.00.r2eff', 200.0000, 800e6],
+ ['800_266.67', '800_266.67.r2eff', 266.6666, 800e6],
+ ['800_333.33', '800_333.33.r2eff', 333.3333, 800e6],
+ ['800_400.00', '800_400.00.r2eff', 400.0000, 800e6],
+ ['800_466.67', '800_466.67.r2eff', 466.6666, 800e6],
+ ['800_533.33', '800_533.33.r2eff', 533.3333, 800e6],
+ ['800_600.00', '800_600.00.r2eff', 600.0000, 800e6],
+ ['800_666.67', '800_666.67.r2eff', 666.6666, 800e6],
+ ['800_733.33', '800_733.33.r2eff', 733.3333, 800e6],
+ ['800_800.00', '800_800.00.r2eff', 800.0000, 800e6],
+ ['800_866.67', '800_866.67.r2eff', 866.6666, 800e6],
+ ['800_933.33', '800_933.33.r2eff', 933.3333, 800e6],
+ ['800_1000.00', '800_1000.00.r2eff', 1000.0000, 800e6]
]
# Loop over the spectra.
-for file, cpmg_frq, H_frq in data:
- relax_disp.r2eff_read(file=file, dir=data_path+sep+'r2eff_data',
exp_type='CPMG', frq=H_frq, disp_frq=cpmg_frq, res_num_col=1, data_col=2,
error_col=3)
+for id, file, cpmg_frq, H_frq in data:
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id=id, exp_type='CPMG')
+
+ # Set the NMR field strength of the spectrum.
+ spectrometer.frequency(id=id, frq=H_frq)
+
+ # Relaxation dispersion CPMG constant time delay T (in s).
+ relax_disp.relax_time(spectrum_id=id, time=0.030)
+
+ # Load the R2eff data.
+ relax_disp.r2eff_read(id=id, file=file, dir=data_path+sep+'r2eff_data',
disp_frq=cpmg_frq, res_num_col=1, data_col=2, error_col=3)
# Deselect unresolved spins.
deselect.read(file='unresolved', dir=data_path+sep+'500_MHz', res_num_col=1)
r21357 - /branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py