Author: bugman
Date: Tue Aug 20 16:55:27 2013
New Revision: 20637
URL: http://svn.gna.org/viewcvs/relax?rev=20637&view=rev
Log:
Updated all of the dispersion system tests for the spectrum.read_intensities
user function changes.
The arguments heteronuc and proton have been replaced with 'dim'.
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_on_res_dpl94.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/r1rho_on_res_m61b.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=20637&r1=20636&r2=20637&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
Tue Aug 20 16:55:27 2013
@@ -67,7 +67,7 @@
# 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', proton='H')
+ 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 spin-lock field strength (nu1).
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py?rev=20637&r1=20636&r2=20637&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_dpl94.py
Tue Aug 20 16:55:27 2013
@@ -58,8 +58,7 @@
data.append(["nu_%s_ncyc%s" % (spin_lock[spin_lock_index],
ncyc[time_index]), "nu_%s_ncyc%s.list" % (spin_lock[spin_lock_index],
ncyc[time_index]), spin_lock[spin_lock_index], times[time_index], 200000.0])
# Load the reference spectrum.
-spectrum.read_intensities(file="nu_%s_ncyc1.list" % spin_lock[0],
dir=data_path, spectrum_id='ref', int_method='height', heteronuc='N',
proton='HN')
-spectrum.read_intensities(file="nu_%s_ncyc1.list" % spin_lock[0],
dir=data_path, spectrum_id='ref', int_method='height', heteronuc='NE1',
proton='HE1')
+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 as the reference.
@@ -71,8 +70,7 @@
# 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.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 spin-lock field strength (nu1).
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=20637&r1=20636&r2=20637&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
Tue Aug 20 16:55:27 2013
@@ -70,8 +70,7 @@
# Load the reference spectrum.
if ds.fixed:
# Load the peak intensities and set the errors.
- spectrum.read_intensities(file="nu_%s_ncyc1.list" % spin_lock[0],
dir=data_path, spectrum_id='ref', int_method='height', heteronuc='N',
proton='HN')
- spectrum.read_intensities(file="nu_%s_ncyc1.list" % spin_lock[0],
dir=data_path, spectrum_id='ref', int_method='height', heteronuc='NE1',
proton='HE1')
+ 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 as the reference.
@@ -83,8 +82,7 @@
# 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.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 spin-lock field strength (nu1).
Modified:
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py?rev=20637&r1=20636&r2=20637&view=diff
==============================================================================
---
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
(original)
+++
branches/relax_disp/test_suite/system_tests/scripts/relax_disp/r1rho_on_res_m61b.py
Tue Aug 20 16:55:27 2013
@@ -56,8 +56,7 @@
data.append(["nu_%s_time_0.1" % spin_lock[spin_lock_index],
"nu_%s_time_0.1.list" % spin_lock[spin_lock_index],
spin_lock[spin_lock_index], 0.1, 100000.0])
# Load the reference spectrum.
-spectrum.read_intensities(file="nu_%s_ref.list" % spin_lock[0],
dir=data_path, spectrum_id='ref', int_method='height', heteronuc='N',
proton='HN')
-spectrum.read_intensities(file="nu_%s_ref.list" % spin_lock[0],
dir=data_path, spectrum_id='ref', int_method='height', heteronuc='NE1',
proton='HE1')
+spectrum.read_intensities(file="nu_%s_ref.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 as the reference.
r20637 - /branches/relax_disp/test_suite/system_tests/scripts/relax_disp/