Hi Ed, That's a question I wanted to ask...
What would be the advantages of C, despite speed ? What would be the advantages of Python, despite accessibility to non programmers ? Regards, Séb Edward d'Auvergne wrote: > 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 > > _______________________________________________ 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
