Author: bugman
Date: Wed Sep 4 19:12:26 2013
New Revision: 20818
URL: http://svn.gna.org/viewcvs/relax?rev=20818&view=rev
Log:
Fixes for the relaxation dispersion system tests for the relax_disp.exp_type
changes.
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py?rev=20818&r1=20817&r2=20818&view=diff
==============================================================================
--- branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py
(original)
+++ branches/relax_disp/test_suite/system_tests/scripts/relax_disp/exp_fit.py
Wed Sep 4 19:12:26 2013
@@ -43,9 +43,6 @@
spin.create(res_name='Gly', res_num=2, spin_name='N')
spin.create(res_name='Lys', res_num=3, spin_name='N')
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('r1rho exponential')
-
# The spectral data - spectrum ID, peak lists, offset frequency (Hz),
relaxation time period (s), baseplane RMSD estimate.
data = [
["nu_1kHz_relaxT_0.01", "nu_1kHz_relaxT_0.01.list", 1000.0, 0.01,
1000],
@@ -70,6 +67,9 @@
spectrum.read_intensities(file=data[i][1], dir=data_path,
spectrum_id=data[i][0], int_method='height')
spectrum.baseplane_rmsd(spectrum_id=data[i][0], error=data[i][4])
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id=data[i][0], exp_type='r1rho exponential')
+
# Set the relaxation dispersion spin-lock field strength (nu1).
relax_disp.spin_lock_field(spectrum_id=data[i][0], field=data[i][2])
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py?rev=20818&r1=20817&r2=20818&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_off_res_tp02.py
Wed Sep 4 19:12:26 2013
@@ -45,9 +45,6 @@
# Set the isotope information.
spin.isotope(isotope='15N')
-# Set the relaxation dispersion experiment type.
-relax_disp.exp_type('r1rho fixed')
-
# Loop over the frequencies.
frq = [500, 800]
frq_label = ['500MHz', '800MHz']
@@ -67,6 +64,9 @@
spectrum.read_intensities(file="ref_%s.list" % frq_label[frq_index],
dir=data_path, spectrum_id='ref_%s' % frq_label[frq_index],
int_method='height', dim=1)
spectrum.baseplane_rmsd(spectrum_id='ref_%s' % frq_label[frq_index],
error=error)
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id='ref_%s' % frq_label[frq_index],
exp_type='r1rho fixed')
+
# Set as the reference.
relax_disp.spin_lock_field(spectrum_id='ref_%s' % frq_label[frq_index],
field=None)
relax_disp.spin_lock_offset(spectrum_id='ref_%s' % frq_label[frq_index],
offset=110.0)
@@ -80,6 +80,9 @@
# Load the peak intensities and set the errors.
spectrum.read_intensities(file=file, dir=data_path, spectrum_id=id,
int_method='height')
spectrum.baseplane_rmsd(spectrum_id=id, error=error)
+
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id=id, exp_type='r1rho fixed')
# Set the relaxation dispersion spin-lock field strength (nu1).
relax_disp.spin_lock_field(spectrum_id=id, field=field)
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py?rev=20818&r1=20817&r2=20818&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61.py
Wed Sep 4 19:12:26 2013
@@ -49,12 +49,6 @@
# Set the isotope information.
spin.isotope(isotope='15N')
-# Set the relaxation dispersion experiment type.
-if ds.fixed:
- relax_disp.exp_type('r1rho fixed')
-else:
- relax_disp.exp_type('r1rho exponential')
-
# The spectral data - spectrum ID, peak lists, offset frequency (Hz),
relaxation time period (s), baseplane RMSD estimate.
data = []
times = [0.00, 0.01, 0.02, 0.04, 0.06, 0.08, 0.1, 0.12, 0.15]
@@ -73,6 +67,9 @@
spectrum.read_intensities(file="nu_%s_ncyc1.list" % spin_lock[0],
dir=data_path, spectrum_id='ref', int_method='height', dim=1)
spectrum.baseplane_rmsd(spectrum_id='ref', error=data[0][4])
+ # Set the relaxation dispersion experiment type.
+ relax_disp.exp_type(spectrum_id='ref', exp_type='r1rho fixed')
+
# Set as the reference.
relax_disp.spin_lock_field(spectrum_id='ref', field=None)
@@ -84,6 +81,12 @@
# 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', dim=1)
spectrum.baseplane_rmsd(spectrum_id=data[i][0], error=data[i][4])
+
+ # Set the relaxation dispersion experiment type.
+ if ds.fixed:
+ relax_disp.exp_type(spectrum_id=data[i][0], exp_type='r1rho fixed')
+ else:
+ relax_disp.exp_type(spectrum_id=data[i][0], exp_type='r1rho
exponential')
# Set the relaxation dispersion spin-lock field strength (nu1).
relax_disp.spin_lock_field(spectrum_id=data[i][0], field=data[i][2])
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py?rev=20818&r1=20817&r2=20818&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r2eff_calc.py
Wed Sep 4 19:12:26 2013
@@ -42,9 +42,6 @@
spin.create(res_name='Trp', res_num=1, spin_name='N')
spin.create(res_name='Trp', res_num=1, spin_name='NE1')
-# 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 = [
['500_reference', 'nu_500MHz_ref.list', None, 500e6],
@@ -86,6 +83,9 @@
# 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 fixed')
+
# Set the relaxation dispersion CPMG frequencies.
relax_disp.cpmg_frq(spectrum_id=id, cpmg_frq=cpmg_frq)
r20818 - /branches/relax_disp/test_suite/system_tests/scripts/relax_disp/