r7972 - in /1.3/test_suite/system_tests: model_free.py scripts/bug_12582.py -- November 10, 2008 - 23:31

Author: bugman
Date: Mon Nov 10 23:31:18 2008
New Revision: 7972

URL: http://svn.gna.org/viewcvs/relax?rev=7972&view=rev
Log:
Added a system test for replicating bug #12582.


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

Modified: 1.3/test_suite/system_tests/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/model_free.py?rev=7972&r1=7971&r2=7972&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/model_free.py (original)
+++ 1.3/test_suite/system_tests/model_free.py Mon Nov 10 23:31:18 2008
@@ -141,6 +141,13 @@
 
             # Check that they are equal (converting to strings to avoid 
comparison nastiness).
             self.assertEqual(str(sub_obj1), str(sub_obj2))
+
+
+    def test_bug_12582(self):
+        """Test catching bug #12582 (https://gna.org/bugs/index.php?12582) 
as submitted by Chris Brosey."""
+
+        # Execute the script.
+        self.relax.interpreter.run(script_file=sys.path[-1] + 
'/test_suite/system_tests/scripts/bug_12582.py')
 
 
     def test_create_m4(self):

Added: 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=7972&view=auto
==============================================================================
--- 1.3/test_suite/system_tests/scripts/bug_12582.py (added)
+++ 1.3/test_suite/system_tests/scripts/bug_12582.py Mon Nov 10 23:31:18 2008
@@ -1,0 +1,27 @@
+"""This system test catches bug #12582 
(https://gna.org/bugs/index.php?12582) submitted by Chris Brosey."""
+
+# Python module imports.
+import sys
+
+
+# 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)
+
+# 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)