Author: bugman
Date: Tue Oct 29 13:20:04 2013
New Revision: 21306
URL: http://svn.gna.org/viewcvs/relax?rev=21306&view=rev
Log:
Changes for the Relax_disp.test_hansen_cpmg_data_auto_analysis_r2eff system
test.
The file paths have been changed.
Modified:
branches/relax_disp/test_suite/system_tests/relax_disp.py
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/hansen_r2eff_data.py
Modified: branches/relax_disp/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/relax_disp.py?rev=21306&r1=21305&r2=21306&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/system_tests/relax_disp.py Tue Oct 29
13:20:04 2013
@@ -557,7 +557,7 @@
def test_hansen_cpmg_data_auto_analysis_r2eff(self):
- """Test of the dispersion auto-analysis using Dr. Flemming Hansen's
CPMG data (using the original R2eff data).
+ """Test of the dispersion auto-analysis using Dr. Flemming Hansen's
CPMG data (using the R2eff data directly instead of peak intensities).
This uses the data from Dr. Flemming Hansen's paper at
http://dx.doi.org/10.1021/jp074793o. This is CPMG data with a fixed
relaxation time period.
"""
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=21306&r1=21305&r2=21306&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
Tue Oct 29 13:20:04 2013
@@ -45,57 +45,49 @@
data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'Hansen'
# Load the sequence.
-sequence.read('fake_sequence.in', dir=status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'Hansen',
res_num_col=1, res_name_col=2)
+sequence.read('fake_sequence.in', dir=data_path, res_num_col=1,
res_name_col=2)
# Name the spins so they can be matched to the assignments, and the isotope
for field strength scaling.
spin.name(name='N')
spin.isotope(isotope='15N')
-# The spectral data - peak list file name, CPMG frequency (Hz), spectrometer
frequency in Hertz.
+# The spectral data - R2eff file name, CPMG frequency (Hz), spectrometer
frequency in Hertz.
data = [
- ['500_MHz'+sep+'reference.in', None, 500e6],
- ['500_MHz'+sep+'66.667.in', 66.6666, 500e6],
- ['500_MHz'+sep+'133.33.in', 133.3333, 500e6],
- ['500_MHz'+sep+'133.33.in.bis', 133.3333, 500e6],
- ['500_MHz'+sep+'200.in', 200.0000, 500e6],
- ['500_MHz'+sep+'266.67.in', 266.6666, 500e6],
- ['500_MHz'+sep+'333.33.in', 333.3333, 500e6],
- ['500_MHz'+sep+'400.in', 400.0000, 500e6],
- ['500_MHz'+sep+'466.67.in', 466.6666, 500e6],
- ['500_MHz'+sep+'533.33.in', 533.3333, 500e6],
- ['500_MHz'+sep+'533.33.in.bis', 533.3333, 500e6],
- ['500_MHz'+sep+'600.in', 600.0000, 500e6],
- ['500_MHz'+sep+'666.67.in', 666.6666, 500e6],
- ['500_MHz'+sep+'733.33.in', 733.3333, 500e6],
- ['500_MHz'+sep+'800.in', 800.0000, 500e6],
- ['500_MHz'+sep+'866.67.in', 866.6666, 500e6],
- ['500_MHz'+sep+'933.33.in', 933.3333, 500e6],
- ['500_MHz'+sep+'933.33.in.bis', 933.3333, 500e6],
- ['500_MHz'+sep+'1000.in', 1000.0000, 500e6],
- ['800_MHz'+sep+'reference.in', None, 800e6],
- ['800_MHz'+sep+'66.667.in', 66.6666, 800e6],
- ['800_MHz'+sep+'133.33.in', 133.3333, 800e6],
- ['800_MHz'+sep+'133.33.in.bis', 133.3333, 800e6],
- ['800_MHz'+sep+'200.in', 200.0000, 800e6],
- ['800_MHz'+sep+'266.67.in', 266.6666, 800e6],
- ['800_MHz'+sep+'333.33.in', 333.3333, 800e6],
- ['800_MHz'+sep+'400.in', 400.0000, 800e6],
- ['800_MHz'+sep+'466.67.in', 466.6666, 800e6],
- ['800_MHz'+sep+'533.33.in', 533.3333, 800e6],
- ['800_MHz'+sep+'533.33.in.bis', 533.3333, 800e6],
- ['800_MHz'+sep+'600.in', 600.0000, 800e6],
- ['800_MHz'+sep+'666.67.in', 666.6666, 800e6],
- ['800_MHz'+sep+'733.33.in', 733.3333, 800e6],
- ['800_MHz'+sep+'800.in', 800.0000, 800e6],
- ['800_MHz'+sep+'866.67.in', 866.6666, 800e6],
- ['800_MHz'+sep+'933.33.in', 933.3333, 800e6],
- ['800_MHz'+sep+'933.33.in.bis', 933.3333, 800e6],
- ['800_MHz'+sep+'1000.in', 1000.0000, 800e6]
+ ['500_66.667.r2eff', 66.6666, 500e6],
+ ['500_133.33.r2eff', 133.3333, 500e6],
+ ['500_200.r2eff', 200.0000, 500e6],
+ ['500_266.67.r2eff', 266.6666, 500e6],
+ ['500_333.33.r2eff', 333.3333, 500e6],
+ ['500_400.r2eff', 400.0000, 500e6],
+ ['500_466.67.r2eff', 466.6666, 500e6],
+ ['500_533.33.r2eff', 533.3333, 500e6],
+ ['500_600.r2eff', 600.0000, 500e6],
+ ['500_666.67.r2eff', 666.6666, 500e6],
+ ['500_733.33.r2eff', 733.3333, 500e6],
+ ['500_800.r2eff', 800.0000, 500e6],
+ ['500_866.67.r2eff', 866.6666, 500e6],
+ ['500_933.33.r2eff', 933.3333, 500e6],
+ ['500_1000.r2eff', 1000.0000, 500e6],
+ ['800_66.667.r2eff', 66.6666, 800e6],
+ ['800_133.33.r2eff', 133.3333, 800e6],
+ ['800_200.r2eff', 200.0000, 800e6],
+ ['800_266.67.r2eff', 266.6666, 800e6],
+ ['800_333.33.r2eff', 333.3333, 800e6],
+ ['800_400.r2eff', 400.0000, 800e6],
+ ['800_466.67.r2eff', 466.6666, 800e6],
+ ['800_533.33.r2eff', 533.3333, 800e6],
+ ['800_600.r2eff', 600.0000, 800e6],
+ ['800_666.67.r2eff', 666.6666, 800e6],
+ ['800_733.33.r2eff', 733.3333, 800e6],
+ ['800_800.r2eff', 800.0000, 800e6],
+ ['800_866.67.r2eff', 866.6666, 800e6],
+ ['800_933.33.r2eff', 933.3333, 800e6],
+ ['800_1000.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, exp_type='CPMG',
frq=H_frq, disp_frq=cpmg_frq, res_num_col=1, data_col=2, error_col=3)
+ 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)
# Deselect unresolved spins.
deselect.read(file='unresolved', dir=data_path+sep+'500_MHz', res_num_col=1)
r21306 - in /branches/relax_disp/test_suite/system_tests: relax_disp.py scripts/relax_disp/hansen_r2eff_data.py