Author: bugman
Date: Tue Mar 1 17:24:07 2011
New Revision: 12652
URL: http://svn.gna.org/viewcvs/relax?rev=12652&view=rev
Log:
Updates for a number of model-free system tests for the changed
relax_data.read() user function.
Modified:
branches/relax_data/test_suite/system_tests/model_free.py
Modified: branches/relax_data/test_suite/system_tests/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_data/test_suite/system_tests/model_free.py?rev=12652&r1=12651&r2=12652&view=diff
==============================================================================
--- branches/relax_data/test_suite/system_tests/model_free.py (original)
+++ branches/relax_data/test_suite/system_tests/model_free.py Tue Mar 1
17:24:07 2011
@@ -262,9 +262,9 @@
# Load the relaxation data.
for i in range(len(frq)):
- self.interpreter.relax_data.read('R1', frq[i],
float(frq[i])*1e6, 'r1.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
- self.interpreter.relax_data.read('R2', frq[i],
float(frq[i])*1e6, 'r2.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
- self.interpreter.relax_data.read('NOE', frq[i],
float(frq[i])*1e6, 'noe.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
+ self.interpreter.relax_data.read('NOE_%s'%frq[i], 'NOE',
float(frq[i])*1e6, 'noe.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
+ self.interpreter.relax_data.read('R1_%s'%frq[i], 'R1',
float(frq[i])*1e6, 'r1.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
+ self.interpreter.relax_data.read('R2_%s'%frq[i], 'R2',
float(frq[i])*1e6, 'r2.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
# Set up the initial model-free parameter values (bypass the grid
search for speed).
self.interpreter.value.set([15.0e-9, 1.0, 0.0], ['local_tm', 'S2',
'te'])
@@ -290,9 +290,9 @@
# Load the relaxation data.
for i in range(len(frq)):
- self.interpreter.relax_data.read('NOE', frq[i],
float(frq[i])*1e6, 'noe.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
- self.interpreter.relax_data.read('R1', frq[i],
float(frq[i])*1e6, 'r1.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
- self.interpreter.relax_data.read('R2', frq[i],
float(frq[i])*1e6, 'r2.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
+ self.interpreter.relax_data.read('NOE_%s'%frq[i], 'NOE',
float(frq[i])*1e6, 'noe.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
+ self.interpreter.relax_data.read('R1_%s'%frq[i], 'R1',
float(frq[i])*1e6, 'r1.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
+ self.interpreter.relax_data.read('R2_%s'%frq[i], 'R2',
float(frq[i])*1e6, 'r2.%s.out' % frq[i], dir=cdp.path, res_num_col=1,
res_name_col=2, data_col=3, error_col=4)
# Set up the initial model-free parameter values (bypass the grid
search for speed).
self.interpreter.value.set([15.0e-9, 1.0, 0.0], ['local_tm', 'S2',
'te'])
@@ -314,15 +314,15 @@
self.interpreter.run(script_file=status.install_path +
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'model_free'+sep+'opt_setup_local_tm_10_S2_0_8_te_40.py')
# Load the relaxation data.
- self.interpreter.relax_data.read('R2', '700', 700*1e6,
'r2.700.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('NOE', '500', 500*1e6,
'noe.500.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('R1', '500', 500*1e6,
'r1.500.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('R1', '900', 900*1e6,
'r1.900.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('NOE', '900', 900*1e6,
'noe.900.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('R2', '900', 900*1e6,
'r2.900.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('R1', '700', 700*1e6,
'r1.700.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('NOE', '700', 700*1e6,
'noe.700.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
- self.interpreter.relax_data.read('R2', '500', 500*1e6,
'r2.500.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R2_700', 'R2', 700*1e6,
'r2.700.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('NOE_500', 'NOE', 500*1e6,
'noe.500.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R1_500', 'R1', 500*1e6,
'r1.500.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R1_900', 'R1', 900*1e6,
'r1.900.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('NOE_900', 'NOE', 900*1e6,
'noe.900.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R2_900', 'R2', 900*1e6,
'r2.900.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R1_700', 'R1', 700*1e6,
'r1.700.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('NOE_700', 'NOE', 700*1e6,
'noe.700.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R2_500', 'R2', 500*1e6,
'r2.500.out', dir=cdp.path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
# Set up the initial model-free parameter values (bypass the grid
search for speed).
self.interpreter.value.set([15.0e-9, 1.0, 0.0], ['local_tm', 'S2',
'te'])
@@ -540,12 +540,12 @@
self.interpreter.structure.vectors(attached='H')
# Read the relaxation data.
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
+ self.interpreter.relax_data.read('R1_600', 'R1', 600.0*1e6,
'r1.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R2_600', 'R2', 600.0*1e6,
'r2.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('NOE_600', 'NOE', 600.0*1e6,
'noe.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R1_500', 'R1', 500.0*1e6,
'r1.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R2_500', 'R2', 500.0*1e6,
'r2.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('NOE_500', 'NOE', 500.0*1e6,
'noe.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
# Setup other values.
self.interpreter.diffusion_tensor.init((1.601 * 1e7, 1.34, 72.4,
90-77.9), param_types=4)
@@ -571,12 +571,12 @@
self.interpreter.sequence.read(file='noe.500.out', dir=path,
res_num_col=1, res_name_col=2)
# Read the relaxation data.
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
- self.interpreter.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)
+ self.interpreter.relax_data.read('R1_600', 'R1', 600.0*1e6,
'r1.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R2_600', 'R2', 600.0*1e6,
'r2.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('NOE_600', 'NOE', 600.0*1e6,
'noe.600.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R1_500', 'R1', 500.0*1e6,
'r1.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('R2_500', 'R2', 500.0*1e6,
'r2.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
+ self.interpreter.relax_data.read('NOE_500', 'NOE', 500.0*1e6,
'noe.500.out', dir=path, res_num_col=1, res_name_col=2, data_col=3,
error_col=4)
# Setup other values.
self.interpreter.value.set([N15_CSA, NH_BOND_LENGTH], ['csa',
'bond_length'])
r12652 - /branches/relax_data/test_suite/system_tests/model_free.py