Author: bugman
Date: Wed Mar 2 16:20:05 2011
New Revision: 12723
URL: http://svn.gna.org/viewcvs/relax?rev=12723&view=rev
Log:
Updated many system test scripts for the new relax_data.read() user function
interface.
Modified:
branches/relax_data/test_suite/system_tests/scripts/consistency_tests.py
branches/relax_data/test_suite/system_tests/scripts/dasha.py
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py
branches/relax_data/test_suite/system_tests/scripts/jw_mapping.py
branches/relax_data/test_suite/system_tests/scripts/model_free/opendx_s2_te_rex.py
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_setup_S2_0_970_te_2048_Rex_0_149.py
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_tm_fns.py
Modified:
branches/relax_data/test_suite/system_tests/scripts/consistency_tests.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/consistency_tests.py?rev=12723&r1=12722&r2=12723&view=diff
==============================================================================
--- branches/relax_data/test_suite/system_tests/scripts/consistency_tests.py
(original)
+++ branches/relax_data/test_suite/system_tests/scripts/consistency_tests.py
Wed Mar 2 16:20:05 2011
@@ -15,9 +15,9 @@
sequence.read(status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2)
# Load the relaxation data.
-relax_data.read('R1', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R1.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R2', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R2.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('NOE', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R1.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R2.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
# Set the nuclei types
value.set('15N', 'heteronucleus')
Modified: branches/relax_data/test_suite/system_tests/scripts/dasha.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/dasha.py?rev=12723&r1=12722&r2=12723&view=diff
==============================================================================
--- branches/relax_data/test_suite/system_tests/scripts/dasha.py (original)
+++ branches/relax_data/test_suite/system_tests/scripts/dasha.py Wed Mar 2
16:20:05 2011
@@ -28,9 +28,9 @@
#structure.read_pdb('example.pdb')
# Load the relaxation data.
- relax_data.read('R1', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R1.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
- relax_data.read('R2', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R2.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
- relax_data.read('NOE', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+ relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R1.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+ relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R2.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+ relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
# Setup other values.
diffusion_tensor.init(1e-8, fixed=True)
Modified:
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py?rev=12723&r1=12722&r2=12723&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/diff_tensor/tensor_opt.py
Wed Mar 2 16:20:05 2011
@@ -33,9 +33,9 @@
# Load the relaxation data.
frq = array([500, 600, 700, 800], float64)
for i in range(len(frq)):
- relax_data.read('R1', str(int(frq[i])), frq[i] * 1e6,
'R1.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
- relax_data.read('R2', str(int(frq[i])), frq[i] * 1e6,
'R2.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
- relax_data.read('NOE', str(int(frq[i])), frq[i] * 1e6,
'NOE.%s.out'%str(int(frq[i])), dir=path, res_num_col=1, data_col=2,
error_col=3)
+ relax_data.read(ri_id='R1_%i'%frq[i], ri_type='R1', frq=frq[i]*1e6,
file='R1.%i.out'%frq[i], dir=path, res_num_col=1, data_col=2, error_col=3)
+ relax_data.read(ri_id='R2_%i'%frq[i], ri_type='R2', frq=frq[i]*1e6,
file='R2.%i.out'%frq[i], dir=path, res_num_col=1, data_col=2, error_col=3)
+ relax_data.read(ri_id='NOE_%i'%frq[i], ri_type='NOE', frq=frq[i]*1e6,
file='NOE.%i.out'%frq[i], dir=path, res_num_col=1, data_col=2, error_col=3)
# Initialise the diffusion tensors.
if ds.diff_type == 'sphere':
Modified: branches/relax_data/test_suite/system_tests/scripts/jw_mapping.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/jw_mapping.py?rev=12723&r1=12722&r2=12723&view=diff
==============================================================================
--- branches/relax_data/test_suite/system_tests/scripts/jw_mapping.py
(original)
+++ branches/relax_data/test_suite/system_tests/scripts/jw_mapping.py Wed Mar
2 16:20:05 2011
@@ -16,9 +16,9 @@
sequence.read(status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2)
# Load the relaxation data.
-relax_data.read('R1', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R1.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R2', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R2.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('NOE', '600', 600.0 * 1e6, status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R1.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'R2.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file=status.install_path+sep+'test_suite'+sep+'shared_data'+sep+'jw_mapping'+sep+'noe.dat',
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
# Set the nuclei types
value.set('15N', 'heteronucleus')
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/opendx_s2_te_rex.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/model_free/opendx_s2_te_rex.py?rev=12723&r1=12722&r2=12723&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/model_free/opendx_s2_te_rex.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/model_free/opendx_s2_te_rex.py
Wed Mar 2 16:20:05 2011
@@ -16,12 +16,12 @@
sequence.read(file='noe.500.out', dir=path, res_num_col=1, res_name_col=2)
# Read the relaxation data.
-relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='noe.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
# Setup other values.
diffusion_tensor.init(1e-8, fixed=True)
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_setup_S2_0_970_te_2048_Rex_0_149.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/model_free/opt_setup_S2_0_970_te_2048_Rex_0_149.py?rev=12723&r1=12722&r2=12723&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_setup_S2_0_970_te_2048_Rex_0_149.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_setup_S2_0_970_te_2048_Rex_0_149.py
Wed Mar 2 16:20:05 2011
@@ -21,12 +21,12 @@
sequence.read('noe.500.out', dir=path, res_num_col=1, res_name_col=2)
# Load the relaxation data.
-relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
-relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out', dir=path,
res_num_col=1, res_name_col=2, data_col=3, error_col=4)
+relax_data.read(ri_id='R1_600', ri_type='R1', frq=600.0*1e6,
file='r1.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='R2_600', ri_type='R2', frq=600.0*1e6,
file='r2.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600.0*1e6,
file='noe.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='R1_500', ri_type='R1', frq=500.0*1e6,
file='r1.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='R2_500', ri_type='R2', frq=500.0*1e6,
file='r2.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+relax_data.read(ri_id='NOE_500', ri_type='NOE', frq=500.0*1e6,
file='noe.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
# Setup other values.
diffusion_tensor.init(10e-9, fixed=True)
Modified:
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_tm_fns.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/scripts/model_free/opt_tm_fns.py?rev=12723&r1=12722&r2=12723&view=diff
==============================================================================
---
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_tm_fns.py
(original)
+++
branches/relax_data/test_suite/system_tests/scripts/model_free/opt_tm_fns.py
Wed Mar 2 16:20:05 2011
@@ -160,9 +160,9 @@
# Load the relaxation data.
for i in range(len(frq)):
- interpreter.relax_data.read('NOE', frq[i], float(frq[i])*1e6,
'noe.%s.out' % frq[i], dir=path, mol_name_col=1, res_num_col=2,
res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
- interpreter.relax_data.read('R1', frq[i], float(frq[i])*1e6,
'r1.%s.out' % frq[i], dir=path, mol_name_col=1, res_num_col=2,
res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
- interpreter.relax_data.read('R2', frq[i], float(frq[i])*1e6,
'r2.%s.out' % frq[i], dir=path, mol_name_col=1, res_num_col=2,
res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
+ interpreter.relax_data.read(ri_id='NOE_%s'%frq[i], ri_type='NOE',
frq=float(frq[i])*1e6, 'noe.%s.out' % frq[i], dir=path, mol_name_col=1,
res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6,
error_col=7)
+ interpreter.relax_data.read(ri_id='R1_%s'%frq[i], ri_type='R1',
frq=float(frq[i])*1e6, 'r1.%s.out' % frq[i], dir=path, mol_name_col=1,
res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6,
error_col=7)
+ interpreter.relax_data.read(ri_id='R2_%s'%frq[i], ri_type='R2',
frq=float(frq[i])*1e6, 'r2.%s.out' % frq[i], dir=path, mol_name_col=1,
res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6,
error_col=7)
# Setup other values.
interpreter.value.set(1.20 * 1e-10, 'bond_length')
r12723 - in /branches/relax_data/test_suite/system_tests/scripts: ./ diff_tensor/ model_free/