r7976 - /1.3/test_suite/system_tests/scripts/bug_12582.py -- November 12, 2008 - 20:57

Author: bugman
Date: Wed Nov 12 20:57:14 2008
New Revision: 7976

URL: http://svn.gna.org/viewcvs/relax?rev=7976&view=rev
Log:
Modified the system test to additionally catch bug #12591 
(https://gna.org/bugs/index.php?12591).


Modified:
    1.3/test_suite/system_tests/scripts/bug_12582.py

Modified: 1.3/test_suite/system_tests/scripts/bug_12582.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/bug_12582.py?rev=7976&r1=7975&r2=7976&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/bug_12582.py (original)
+++ 1.3/test_suite/system_tests/scripts/bug_12582.py Wed Nov 12 20:57:14 2008
@@ -1,4 +1,9 @@
-"""This system test catches bug #12582 
(https://gna.org/bugs/index.php?12582) submitted by Chris Brosey."""
+"""This system test catches 2 bugs submitted by Chris Brosey.
+
+The bugs include:
+    - Bug #12582 (https://gna.org/bugs/index.php?12582).
+    - Bug #12591 (https://gna.org/bugs/index.php?12591).
+"""
 
 # Python module imports.
 import sys
@@ -7,21 +12,28 @@
 # Path of the files.
 path = sys.path[-1] + 
'/test_suite/shared_data/model_free/S2_0.970_te_2048_Rex_0.149'
 
-# Setup.
-pipe.create(pipe_name='tm0', pipe_type='mf')
-sequence.read(file='noe.500.out', dir=path, mol_name_col=None, 
res_num_col=0, res_name_col=1, spin_num_col=None, spin_name_col=None, 
sep=None)
-relax_data.read(ri_label='R1', frq_label='500', frq=500208000.0, 
file='r1.500.out', dir=path, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None, data_col=2, 
error_col=3, sep=None)
-relax_data.read(ri_label='R2', frq_label='500', frq=500208000.0, 
file='r2.500.out', dir=path, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None, data_col=2, 
error_col=3, sep=None)
-relax_data.read(ri_label='NOE', frq_label='500', frq=500208000.0, 
file='noe.500.out', dir=path, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None, data_col=2, 
error_col=3, sep=None)
-value.set(val=1.0200000000000001e-10, param='bond_length', spin_id=None)
-value.set(val=-0.00017199999999999998, param='csa', spin_id=None)
-value.set(val='15N', param='heteronucleus', spin_id=None)
-value.set(val='1H', param='proton', spin_id=None)
-model_free.select_model(model='tm0', spin_id=None)
+# Loop over the models.
+for name in ['tm0', 'tm1']:
 
-# Optimisation.
-grid_search(lower=None, upper=None, inc=11, constraints=True, verbosity=1)
-minimise('newton', func_tol=1e-25, max_iterations=10000000, 
constraints=True, scaling=True, verbosity=1)
+    # Setup.
+    pipe.create(pipe_name=name, pipe_type='mf')
+    sequence.read(file='noe.500.out', dir=path, mol_name_col=None, 
res_num_col=0, res_name_col=1, spin_num_col=None, spin_name_col=None, 
sep=None)
+    relax_data.read(ri_label='R1', frq_label='500', frq=500208000.0, 
file='r1.500.out', dir=path, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None, data_col=2, 
error_col=3, sep=None)
+    relax_data.read(ri_label='R2', frq_label='500', frq=500208000.0, 
file='r2.500.out', dir=path, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None, data_col=2, 
error_col=3, sep=None)
+    relax_data.read(ri_label='NOE', frq_label='500', frq=500208000.0, 
file='noe.500.out', dir=path, mol_name_col=None, res_num_col=0, 
res_name_col=1, spin_num_col=None, spin_name_col=None, data_col=2, 
error_col=3, sep=None)
+    value.set(val=1.0200000000000001e-10, param='bond_length', spin_id=None)
+    value.set(val=-0.00017199999999999998, param='csa', spin_id=None)
+    value.set(val='15N', param='heteronucleus', spin_id=None)
+    value.set(val='1H', param='proton', spin_id=None)
+    model_free.select_model(model=name, spin_id=None)
 
-# Results writing.
-results.write(file='devnull', force=True, compress_type=1)
+    # Optimisation.
+    grid_search(lower=None, upper=None, inc=11, constraints=True, 
verbosity=1)
+    minimise('newton', func_tol=1e-25, max_iterations=10000000, 
constraints=True, scaling=True, verbosity=1)
+
+    # Results writing.
+    results.write(file='devnull', force=True, compress_type=1)
+
+# Model selection.
+eliminate(function=None, args=None)
+model_selection(method='AIC', modsel_pipe='aic', pipes=['tm0', 'tm1'])