Author: bugman
Date: Fri Sep 6 17:11:08 2013
New Revision: 20911
URL: http://svn.gna.org/viewcvs/relax?rev=20911&view=rev
Log:
More fixes for the relax_disp.exp_type user function changes.
Modified:
branches/relax_disp/test_suite/gui_tests/relax_disp.py
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp.py
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp_trunc.py
branches/relax_disp/test_suite/shared_data/dispersion/error_testing/simulation.py
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/relax_results/relax_disp.py
Modified: branches/relax_disp/test_suite/gui_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/gui_tests/relax_disp.py?rev=20911&r1=20910&r2=20911&view=diff
==============================================================================
--- branches/relax_disp/test_suite/gui_tests/relax_disp.py (original)
+++ branches/relax_disp/test_suite/gui_tests/relax_disp.py Fri Sep 6
17:11:08 2013
@@ -254,7 +254,7 @@
# Set the experiment types.
for id, file, cpmg_frq, H_frq in data:
- wizard.setup_page(page='exp_type', spectrum_id=id,
exp_type='cpmg fixed')
+ wizard.setup_page(page='exp_type', spectrum_id=id,
exp_type='CPMG')
wizard._apply(None)
wizard._skip(None)
@@ -425,7 +425,7 @@
# The experiment type.
for id, file, field, H_frq in data:
- wizard.setup_page(page='exp_type', spectrum_id=id,
exp_type='r1rho fixed')
+ wizard.setup_page(page='exp_type', spectrum_id=id,
exp_type='R1rho')
wizard._apply(None)
wizard._skip(None)
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp.py?rev=20911&r1=20910&r2=20911&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp.py
Fri Sep 6 17:11:08 2013
@@ -42,9 +42,6 @@
# 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')
-
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('cpmg fixed')
# The spectral data - spectrum ID, peak list file name, CPMG frequency (Hz),
spectrometer frequency in Hertz.
data = [
@@ -93,6 +90,9 @@
# Load the peak intensities.
spectrum.read_intensities(file=file, dir=data_path, spectrum_id=id,
int_method='height')
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id=id, exp_type='CPMG')
+
# Set the relaxation dispersion CPMG frequencies.
relax_disp.cpmg_frq(spectrum_id=id, cpmg_frq=cpmg_frq)
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp_trunc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp_trunc.py?rev=20911&r1=20910&r2=20911&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp_trunc.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/Hansen/relax_disp_trunc.py
Fri Sep 6 17:11:08 2013
@@ -41,9 +41,6 @@
# Name the spins so they can be matched to the assignments.
spin.name(name='N')
-
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('cpmg fixed')
# The spectral data - spectrum ID, peak list file name, CPMG frequency (Hz),
spectrometer frequency in Hertz.
data = [
@@ -92,6 +89,9 @@
# Load the peak intensities.
spectrum.read_intensities(file=file, dir=data_path, spectrum_id=id,
int_method='height')
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id=id, exp_type='CPMG')
+
# Set the relaxation dispersion CPMG frequencies.
relax_disp.cpmg_frq(spectrum_id=id, cpmg_frq=cpmg_frq)
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/error_testing/simulation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/error_testing/simulation.py?rev=20911&r1=20910&r2=20911&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/error_testing/simulation.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/error_testing/simulation.py
Fri Sep 6 17:11:08 2013
@@ -52,16 +52,15 @@
# Set the spectrometer frequency.
spectrometer.frequency(id='ref', frq=800, units='MHz')
-# The experiment type and model.
-relax_disp.exp_type('r1rho fixed')
-relax_disp.select_model('R2eff')
-
# Loop over the spectral data, loading it and setting the metadata.
for i in range(len(data)):
# Load the peak intensities and set the errors.
spectrum.read_intensities(file=data[i][1], dir=data_path,
spectrum_id=data[i][0], int_method='height', heteronuc='N', proton='HN')
spectrum.read_intensities(file=data[i][1], dir=data_path,
spectrum_id=data[i][0], int_method='height', heteronuc='NE1', proton='HE1')
spectrum.baseplane_rmsd(spectrum_id=data[i][0], error=data[i][4])
+
+ # Set the experiment type.
+ relax_disp.exp_type(spectrum_id=id, exp_type='R1rho')
# Set the relaxation dispersion spin-lock field strength (nu1).
relax_disp.spin_lock_field(spectrum_id=data[i][0], field=data[i][2])
@@ -71,6 +70,9 @@
# Set the spectrometer frequency.
spectrometer.frequency(id=data[i][0], frq=800, units='MHz')
+
+# The model.
+relax_disp.select_model('R2eff')
# Set up all the errors.
spectrum.error_analysis()
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py?rev=20911&r1=20910&r2=20911&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/r2eff_calc.py
Fri Sep 6 17:11:08 2013
@@ -34,9 +34,6 @@
# Create the sequence.
spin.create(res_name='Trp', res_num=1, spin_name='N')
spin.create(res_name='Lys', res_num=2, spin_name='N')
-
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('cpmg fixed')
# The spectral data - spectrum ID, peak list file name, CPMG frequency (Hz),
spectrometer frequency in Hertz.
data = [
@@ -79,6 +76,9 @@
# Load the peak intensities.
spectrum.read_intensities(file=file, dir=data_path, spectrum_id=id,
heteronuc='N', proton='HN', int_method='height')
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id=id, exp_type='CPMG')
+
# Set the relaxation dispersion CPMG frequencies.
relax_disp.cpmg_frq(spectrum_id=id, cpmg_frq=cpmg_frq)
Modified:
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/relax_results/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/relax_results/relax_disp.py?rev=20911&r1=20910&r2=20911&view=diff
==============================================================================
---
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/relax_results/relax_disp.py
(original)
+++
branches/relax_disp/test_suite/shared_data/dispersion/lm63_3site/relax_results/relax_disp.py
Fri Sep 6 17:11:08 2013
@@ -37,9 +37,6 @@
# Create the sequence.
spin.create(res_name='Trp', res_num=1, spin_name='N')
spin.create(res_name='Lys', res_num=2, spin_name='N')
-
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('cpmg fixed')
# The spectral data - spectrum ID, peak list file name, CPMG frequency (Hz),
spectrometer frequency in Hertz.
data = [
@@ -82,6 +79,9 @@
# Load the peak intensities.
spectrum.read_intensities(file=file, dir=data_path, spectrum_id=id,
heteronuc='N', proton='HN', int_method='height')
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id=id, exp_type='CPMG')
+
# Set the relaxation dispersion CPMG frequencies.
relax_disp.cpmg_frq(spectrum_id=id, cpmg_frq=cpmg_frq)
r20911 - in /branches/relax_disp/test_suite: gui_tests/ shared_data/dispersion/Hansen/ shared_data/dispersion/error_testing/...