Author: bugman Date: Fri Nov 21 09:45:57 2008 New Revision: 7996 URL: http://svn.gna.org/viewcvs/relax?rev=7996&view=rev Log: Renamed the bugs_12582_12591.py system test script to include bug #12607. Added: 1.3/test_suite/system_tests/scripts/bugs_12582_12591_12607.py - copied unchanged from r7995, 1.3/test_suite/system_tests/scripts/bugs_12582_12591.py Removed: 1.3/test_suite/system_tests/scripts/bugs_12582_12591.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=7996&r1=7995&r2=7996&view=diff ============================================================================== --- 1.3/test_suite/system_tests/model_free.py (original) +++ 1.3/test_suite/system_tests/model_free.py Fri Nov 21 09:45:57 2008 @@ -147,7 +147,7 @@ """Test catching bugs #12582, #12591 and #12607 as submitted by Chris Brosey.""" # Execute the script. - self.relax.interpreter.run(script_file=sys.path[-1] + '/test_suite/system_tests/scripts/bugs_12582_12591.py') + self.relax.interpreter.run(script_file=sys.path[-1] + '/test_suite/system_tests/scripts/bugs_12582_12591_12607.py') # Alias the current data pipe. cdp = pipes.get_pipe() Removed: 1.3/test_suite/system_tests/scripts/bugs_12582_12591.py URL: http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/bugs_12582_12591.py?rev=7995&view=auto ============================================================================== --- 1.3/test_suite/system_tests/scripts/bugs_12582_12591.py (original) +++ 1.3/test_suite/system_tests/scripts/bugs_12582_12591.py (removed) @@ -1,50 +1,0 @@ -"""This system test catches 2 bugs submitted by Chris Brosey. - -The bugs include: - - Bug #12582 (https://gna.org/bugs/?12582). - - Bug #12591 (https://gna.org/bugs/?12591). - - Bug #12607 (https://gna.org/bugs/?12607). -""" - -# 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' - -# Loop over the models. -for name in ['tm0', 'tm1']: - # 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) - - # 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. -sequence.display() -eliminate(function=None, args=None) -model_selection(method='AIC', modsel_pipe='aic', pipes=['tm0', 'tm1']) - - - -# Catch bug #12607 (https://gna.org/bugs/?12607). -################################################# - -model_free.remove_tm(spin_id=None) -diffusion_tensor.init(params=1e-08, time_scale=1.0, d_scale=1.0, angle_units='deg', param_types=0, spheroid_type=None, fixed=False) -fix(element='all_spins', fixed=True) -grid_search(lower=None, upper=None, inc=11, constraints=True, verbosity=1)