Author: bugman
Date: Fri Jan 4 11:19:35 2008
New Revision: 4302
URL: http://svn.gna.org/viewcvs/relax?rev=4302&view=rev
Log:
Added 14 unit tests for the setting of relaxation curve fitting parameter
values.
Modified:
1.3/test_suite/unit_tests/value_testing_base.py
Modified: 1.3/test_suite/unit_tests/value_testing_base.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/value_testing_base.py?rev=4302&r1=4301&r2=4302&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/value_testing_base.py (original)
+++ 1.3/test_suite/unit_tests/value_testing_base.py Fri Jan 4 11:19:35 2008
@@ -52,9 +52,13 @@
# Add a reduced spectral density mapping data pipe to the data store
for testing RSDM parameters.
relax_data_store.add(pipe_name='jw', pipe_type='jw')
+ # Add a relaxation curve fitting data pipe to the data store for
testing the associated parameters.
+ relax_data_store.add(pipe_name='relax_fit', pipe_type='relax_fit')
+
# Set up some spins.
self.set_up_spins(pipe_name='mf')
self.set_up_spins(pipe_name='jw')
+ self.set_up_spins(pipe_name='relax_fit')
def tearDown(self):
@@ -3534,3 +3538,299 @@
self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 's2s'))
self.assertEqual(cdp.mol[0].res[1].spin[0].s2f, 0.7)
self.assertEqual(cdp.mol[0].res[1].spin[0].s2s, 0.7)
+
+
+
+ #######################################
+ # Relaxation curve fitting parameters #
+ #######################################
+
+
+ def test_set_relax_data_all_spins_rx(self):
+ """Set the relaxation curve fitting Rx parameter for all spins.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='rx', val=1.2)
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].rx, 1.2)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].rx, 1.2)
+
+
+ def test_set_relax_data_all_spins_i0(self):
+ """Set the relaxation curve fitting I0 parameter for all spins.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='i0', val=520)
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].i0, 520)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 520)
+
+
+ def test_set_relax_data_all_spins_iinf(self):
+ """Set the relaxation curve fitting Iinf parameter for all spins.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='Iinf', val=-1.7)
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].iinf, -1.7)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, -1.7)
+
+
+ def test_set_relax_data_all_spins_diff_i0_iinf(self):
+ """Set the relaxation curve fitting parameters {I0, Iinf} for all
spins to different values.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param=['I0', 'iinf'], val=[123456, -1.7])
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].i0, 123456)
+ self.assertEqual(cdp.mol[0].res[0].spin[0].iinf, -1.7)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 123456)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, -1.7)
+
+
+ def test_set_relax_data_all_spins_same_i0_iinf(self):
+ """Set the relaxation curve fitting parameters {I0, Iinf} for all
spins to the same value.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param=['I0', 'iinf'], val=0.0)
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].i0, 0.0)
+ self.assertEqual(cdp.mol[0].res[0].spin[0].iinf, 0.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 0.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, 0.0)
+
+
+ def test_set_relax_data_defaults_rx(self):
+ """Set the relaxation curve fitting Rx parameter to the default
value.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='rx')
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].rx, 8.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].rx, 8.0)
+
+
+ def test_set_relax_data_defaults_i0(self):
+ """Set the relaxation curve fitting I0 parameter to the default
value.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='i0')
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].i0, 10000.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 10000.0)
+
+
+ def test_set_relax_data_defaults_iinf(self):
+ """Set the relaxation curve fitting Iinf parameter to the default
value.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='Iinf')
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].iinf, 0.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, 0.0)
+
+
+ def test_set_relax_data_defaults_i0_iinf(self):
+ """Set the relaxation curve fitting parameters {I0, Iinf} to the
default values.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param=['I0', 'iinf'])
+
+ # Test the parameter.
+ self.assertEqual(cdp.mol[0].res[0].spin[0].i0, 10000.0)
+ self.assertEqual(cdp.mol[0].res[0].spin[0].iinf, 0.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 10000.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, 0.0)
+
+
+ def test_set_relax_data_single_spin_rx(self):
+ """Set the relaxation curve fitting Rx parameter for all spins.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='rx', val=1.2, spin_id='@112')
+
+ # Test the parameter.
+ self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 'rx'))
+ self.assertEqual(cdp.mol[0].res[1].spin[0].rx, 1.2)
+
+
+ def test_set_relax_data_single_spin_i0(self):
+ """Set the relaxation curve fitting I0 parameter for all spins.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='i0', val=520, spin_id='@112')
+
+ # Test the parameter.
+ self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 'i0'))
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 520)
+
+
+ def test_set_relax_data_single_spin_iinf(self):
+ """Set the relaxation curve fitting Iinf parameter for all spins.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param='Iinf', val=-1.7, spin_id='@112')
+
+ # Test the parameter.
+ self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 'iinf'))
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, -1.7)
+
+
+ def test_set_relax_data_single_spin_diff_i0_iinf(self):
+ """Set the relaxation curve fitting parameters {I0, Iinf} for all
spins to different values.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param=['I0', 'iinf'], val=[123456, -1.7],
spin_id='@112')
+
+ # Test the parameter.
+ self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 'i0'))
+ self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 'iinf'))
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 123456)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, -1.7)
+
+
+ def test_set_relax_data_single_spin_same_i0_iinf(self):
+ """Set the relaxation curve fitting parameters {I0, Iinf} for all
spins to the same value.
+
+ The functions tested are both generic_fns.value.set() and
prompt.value.set().
+ """
+
+ # Set the current data pipe to 'relax_fit'.
+ relax_data_store.current_pipe = 'relax_fit'
+
+ # Alias the current data pipe.
+ cdp = relax_data_store[relax_data_store.current_pipe]
+
+ # Set the parameter.
+ self.value_fns.set(param=['I0', 'iinf'], val=0.0, spin_id='@112')
+
+ # Test the parameter.
+ self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 'i0'))
+ self.assert_(not hasattr(cdp.mol[0].res[0].spin[0], 'iinf'))
+ self.assertEqual(cdp.mol[0].res[1].spin[0].i0, 0.0)
+ self.assertEqual(cdp.mol[0].res[1].spin[0].iinf, 0.0)
r4302 - /1.3/test_suite/unit_tests/value_testing_base.py