Seb, At a later date - i.e. when you come to this part - we should have a discussion as to whether the maths functions should be written in C or in Python.
Regards, Edward On Tue, Jan 6, 2009 at 10:46 PM, <[email protected]> wrote: > Author: semor > Date: Tue Jan 6 22:46:44 2009 > New Revision: 8248 > > URL: http://svn.gna.org/viewcvs/relax?rev=8248&view=rev > Log: > Started to implement relaxation dispersion system tests. > > > Modified: > branches/relax_disp/test_suite/system_tests/relax_disp.py > > Modified: branches/relax_disp/test_suite/system_tests/relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/relax_disp.py?rev=8248&r1=8247&r2=8248&view=diff > ============================================================================== > --- branches/relax_disp/test_suite/system_tests/relax_disp.py (original) > +++ branches/relax_disp/test_suite/system_tests/relax_disp.py Tue Jan 6 > 22:46:44 2009 > @@ -1,6 +1,7 @@ > > ############################################################################### > # > # > # Copyright (C) 2006-2008 Edward d'Auvergne > # > +# Copyright (C) 2009 Sebastien > # > # > # > # This file is part of the program relax. > # > # > # > @@ -34,14 +35,14 @@ > from generic_fns import pipes > > > -class Relax_fit(TestCase): > - """Class for testing various aspects specific to relaxation > curve-fitting.""" > +class Relax_disp(TestCase): > + """Class for testing various aspects specific to relaxation dispersion > curve-fitting.""" > > def setUp(self): > """Set up for all the functional tests.""" > > # Create the data pipe. > - self.relax.interpreter._Pipe.create('mf', 'mf') > + self.relax.interpreter._Pipe.create('relax_disp', 'relax_disp') > > # Create a temporary directory for dumping files. > ds.tmpdir = mkdtemp() > @@ -58,77 +59,8 @@ > ds.__reset__() > > > - def test_bug_12670_12679(self): > - """Test the relaxation curve fitting, replicating bug #12670 and bug > #12679.""" > + def test_curve_fitting(self): > + """Test the relaxation dispersion curve fitting C modules.""" > > # Execute the script. > - self.relax.interpreter.run(script_file=sys.path[-1] + > '/test_suite/system_tests/scripts/1UBQ_relax_fit.py') > - > - # Open the intensities.agr file. > - file = open(ds.tmpdir + sep + 'intensities.agr') > - lines = file.readlines() > - file.close() > - > - # Split up the lines. > - for i in xrange(len(lines)): > - lines[i] = split(lines[i]) > - > - # Check some of the Grace data. > - self.assertEqual(len(lines[23]), 2) > - self.assertEqual(lines[23][0], '0.004') > - self.assertEqual(lines[23][1], '487178.0') > - > - > - def test_curve_fitting(self): > - """Test the relaxation curve fitting C modules.""" > - > - # Execute the script. > - self.relax.interpreter.run(script_file=sys.path[-1] + > '/test_suite/system_tests/scripts/relax_fit.py') > - > - > - def test_read_sparky(self): > - """The Sparky peak height loading test.""" > - > - # Load the original state. > - self.relax.interpreter._State.load(state='basic_heights_T2_ncyc1', > dir_name=sys.path[-1] + '/test_suite/shared_data/saved_states') > - > - # Create a new data pipe for the new data. > - self.relax.interpreter._Pipe.create('new', 'relax_fit') > - > - # Load the Lupin Ap4Aase sequence. > - self.relax.interpreter._Sequence.read(file="Ap4Aase.seq", > dir=sys.path[-1] + "/test_suite/shared_data") > - > - # Name the spins so they can be matched to the assignments. > - self.relax.interpreter._Spin.name(name='N') > - > - # Read the peak heights. > - > self.relax.interpreter._Spectrum.read_intensities(file="T2_ncyc1_ave.list", > dir=sys.path[-1] + "/test_suite/shared_data/curve_fitting", > spectrum_id='0.0176') > - > - > - # Test the integrity of the data. > - ################################# > - > - # Get the data pipes. > - dp_new = pipes.get_pipe('new') > - dp_rx = pipes.get_pipe('rx') > - > - # Loop over the spins of the original data. > - for mol_index, res_index, spin_index in spin_index_loop(): > - # Alias the spin containers. > - new_spin = dp_new.mol[mol_index].res[res_index].spin[spin_index] > - orig_spin = dp_rx.mol[mol_index].res[res_index].spin[spin_index] > - > - # Check the sequence info. > - self.assertEqual(dp_new.mol[mol_index].name, > dp_rx.mol[mol_index].name) > - self.assertEqual(dp_new.mol[mol_index].res[res_index].num, > dp_rx.mol[mol_index].res[res_index].num) > - self.assertEqual(dp_new.mol[mol_index].res[res_index].name, > dp_rx.mol[mol_index].res[res_index].name) > - self.assertEqual(new_spin.num, orig_spin.num) > - self.assertEqual(new_spin.name, orig_spin.name) > - > - # Skip deselected spins. > - if not orig_spin.select: > - continue > - > - # Check intensities (if they exist). > - if hasattr(orig_spin, 'intensities'): > - self.assertEqual(orig_spin.intensities[0], > new_spin.intensities[0]) > + self.relax.interpreter.run(script_file=sys.path[-1] + > '/test_suite/system_tests/scripts/relax_disp.py') > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-commits mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
