Author: bugman
Date: Mon Feb 4 20:17:31 2013
New Revision: 18412
URL: http://svn.gna.org/viewcvs/relax?rev=18412&view=rev
Log:
Large expansion of the Mf.test_bug_20479 GUI test.
The test has also been renamed to Mf.test_bug_20479_gui_final_pipe. Instead
of loading the bug
#20480 state file, now the entire GUI analysis starting from scratch and
using the relaxation data
files is performed remotely by the test. This is necessary because the
result of the bug is present
in the state file.
Added:
trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/
trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/NoeRelN
trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R1850
trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2604
trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2863
Modified:
trunk/test_suite/gui_tests/model_free.py
Modified: trunk/test_suite/gui_tests/model_free.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/gui_tests/model_free.py?rev=18412&r1=18411&r2=18412&view=diff
==============================================================================
--- trunk/test_suite/gui_tests/model_free.py (original)
+++ trunk/test_suite/gui_tests/model_free.py Mon Feb 4 20:17:31 2013
@@ -44,50 +44,147 @@
class Mf(GuiTestCase):
"""Class for testing various aspects specific to the model-free
auto-analysis."""
- def test_bug_20479(self):
+ def test_bug_20479_gui_final_pipe(self):
"""Catch bug #20479 (https://gna.org/bugs/?20479), the failure to
load a relax state in the GUI.
This was reported by Stanislava Panova (https://gna.org/users/stacy).
"""
- # Simulate the 'Open relax state' menu entry.
- file = status.install_path + sep + 'test_suite' + sep +
'shared_data' + sep + 'saved_states' + sep + 'bug_20480.bz2'
- self.app.gui.state_load(file_name=file)
-
- # Check that the data has been loaded.
- self.assertEqual(cdp_name(), "aic - mf (Mon Feb 4 13:30:01 2013)")
- self.assertEqual(cdp.frq['NOE_800'], 800000031.0)
- self.assertEqual(cdp.frq['R1_800'], 800000031.0)
- self.assertEqual(cdp.frq['R2_800'], 800000031.0)
- self.assertEqual(cdp.frq['R2_600'], 599999000.0)
+ # Simulate the new analysis wizard.
+ self.app.gui.analysis.menu_new(None)
+ page = self.app.gui.analysis.new_wizard.wizard.get_page(0)
+ page.select_mf(None)
+ page.analysis_name.SetValue(str_to_gui("Model-free test"))
+ self.app.gui.analysis.new_wizard.wizard._go_next(None)
+ page = self.app.gui.analysis.new_wizard.wizard.get_page(1)
+ self.app.gui.analysis.new_wizard.wizard._go_next(None)
+
+ # Get the data.
+ analysis_type, analysis_name, pipe_name, pipe_bundle =
self.app.gui.analysis.new_wizard.get_data()
+
+ # Set up the analysis.
+ self.app.gui.analysis.new_analysis(analysis_type=analysis_type,
analysis_name=analysis_name, pipe_name=pipe_name, pipe_bundle=pipe_bundle)
# Alias the analysis.
- analysis = self.app.gui.analysis.get_page_from_name("Model-free")
-
- # Set the protocol mode to automatic.
- analysis.mode_win.select_final()
- analysis.mode_dialog()
+ analysis = self.app.gui.analysis.get_page_from_name("Model-free
test")
# Change the results directory.
- ds.tmpdir = mkdtemp()
analysis.field_results_dir.SetValue(str_to_gui(ds.tmpdir))
+
+ # The data path.
+ data_path = status.install_path + sep + 'test_suite' + sep +
'shared_data' + sep + 'model_free' + sep + 'bug_20479_gui_final_pipe' + sep
+
+ # Launch the spin viewer window.
+ self.app.gui.show_tree()
+
+ # Spin loading wizard: Initialisation.
+ self.app.gui.spin_viewer.load_spins_wizard()
+
+ # Spin loading wizard: The NOE data file.
+ page = self.app.gui.spin_viewer.wizard.get_page(0)
+ page.selection = 'sequence'
+ self.app.gui.spin_viewer.wizard._go_next()
+ page =
self.app.gui.spin_viewer.wizard.get_page(self.app.gui.spin_viewer.wizard._current_page)
+ page.uf_args['file'].SetValue(str_to_gui(data_path + 'NoeRelN'))
+ self.app.gui.spin_viewer.wizard._go_next()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+
+ # Spin loading wizard: The spin loading.
+ self.app.gui.spin_viewer.wizard._go_next()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+
+ # Close the spin viewer window.
+ self.app.gui.spin_viewer.handler_close()
+
+ # Flush the interpreter in preparation for the synchronous user
functions of the peak list wizard.
+ interpreter.flush()
+
+ # Set the element type.
+ self._execute_uf(uf_name='spin.element', element='N')
+
+ # Load the relaxation data.
+ data = [
+ ['NoeRelN', 'noe_800', 'NOE', 800000031.0],
+ ['R1850', 'r1_800', 'R1', 800000031.0],
+ ['R2863', 'r2_800', 'R2', 800000031.0],
+ ['R2604', 'r2_600', 'R2', 599999000.0]
+ ]
+ for i in range(len(data)):
+ self._execute_uf(uf_name='relax_data.read',
file=data_path+data[i][0], ri_id=data[i][1], ri_type=data[i][2],
frq=data[i][3], mol_name_col=1, res_num_col=2, res_name_col=3,
spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)
+
+ # Attach the protons.
+ self._execute_uf(uf_name='sequence.attach_protons')
+
+ # Dipole-dipole interaction wizard: Initialisation and skipping of
the structure loading.
+ analysis.setup_dipole_pair()
+ analysis.dipole_wizard._current_page = 2
+
+ # Dipole-dipole interaction wizard: The dipole_pair.define and
dipole_pair.set_dist user functions (but skipping dipole_pair.unit_vectors).
+ analysis.dipole_wizard._apply()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+ page = analysis.dipole_wizard.get_page(0)
+ analysis.dipole_wizard._go_next()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+ analysis.dipole_wizard._go_next()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+
+ # Set up the CSA interaction.
+ analysis.value_set_csa()
+ uf_store['value.set'].wizard._go_next()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+
+ # Set up the nuclear isotopes.
+ analysis.spin_isotope_heteronuc()
+ uf_store['spin.isotope'].wizard._go_next()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+ analysis.spin_isotope_proton()
+ uf_store['spin.isotope'].wizard._go_next()
+ interpreter.flush() # Required because of the asynchronous uf
call.
+
+ # Select only the tm0 and tm1 local tm models.
+ analysis.local_tm_model_field.select = [True, True, False, False,
False, False, False, False, False, False]
+ analysis.local_tm_model_field.modify()
+
+ # Select only the m1 and m2 model-free models.
+ analysis.mf_model_field.select = [False, True, True, False, False,
False, False, False, False, False]
+ analysis.mf_model_field.modify()
+
+ # Change the grid increments.
+ analysis.grid_inc.SetValue(3)
+ analysis.data.diff_tensor_grid_inc = {'sphere': 5, 'prolate': 5,
'oblate': 5, 'ellipsoid': 3}
+
+ # Set the number of Monte Carlo simulations.
+ analysis.mc_sim_num.SetValue(2)
+
+ # Set the maximum number of iterations (changing the allowed values).
+ analysis.max_iter.control.SetRange(0, 100)
+ analysis.max_iter.SetValue(1)
# Modify some of the class variables to speed up optimisation.
auto_model_free.dauvergne_protocol.dAuvergne_protocol.opt_func_tol =
1e-5
auto_model_free.dauvergne_protocol.dAuvergne_protocol.opt_max_iterations =
1000
- # Execute relax.
- state =
analysis.execute(wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED,
analysis.button_exec_relax.GetId()))
-
- # Wait for execution to complete.
- if hasattr(analysis, 'thread'):
- analysis.thread.join()
-
- # Flush all wx events.
- wx.Yield()
-
- # Exceptions in the thread.
- self.check_exceptions()
+ # Execute the 'local_tm' and 'final' protocol stages sequentially.
+ for protocol in ['local_tm', 'final']:
+ # Set the protocol mode.
+ if protocol == 'local_tm':
+ analysis.mode_win.select_local_tm()
+ else:
+ analysis.mode_win.select_final()
+ analysis.mode_dialog()
+
+ # Execute relax.
+ state =
analysis.execute(wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED,
analysis.button_exec_relax.GetId()))
+
+ # Wait for execution to complete.
+ if hasattr(analysis, 'thread'):
+ analysis.thread.join()
+
+ # Flush all wx events.
+ wx.Yield()
+
+ # Exceptions in the thread.
+ self.check_exceptions()
def test_mf_auto_analysis(self):
Added:
trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/NoeRelN
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/NoeRelN?rev=18412&view=auto
==============================================================================
--- trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/NoeRelN
(added)
+++ trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/NoeRelN
Mon Feb 4 20:17:31 2013
@@ -1,0 +1,3 @@
+# mol_name res_num res_name spin_num spin_name value error
+PrtG 9 LYS 11 N 0.80621 0.00659
+PrtG 10 LEU 28 N 0.79273 0.00720
Added: trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R1850
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R1850?rev=18412&view=auto
==============================================================================
--- trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R1850
(added)
+++ trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R1850
Mon Feb 4 20:17:31 2013
@@ -1,0 +1,3 @@
+# mol_name res_num res_name spin_num spin_name value error
+PrtG 9 LYS 29 N 1.716915 0.110690
+PrtG 10 LEU 24 N 1.720519 0.132587
Added: trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2604
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2604?rev=18412&view=auto
==============================================================================
--- trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2604
(added)
+++ trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2604
Mon Feb 4 20:17:31 2013
@@ -1,0 +1,3 @@
+# mol_name res_num res_name spin_num spin_name value error
+PrtG 9 LYS 28 N 19.124116 0.453507
+PrtG 10 LEU 23 N 17.863523 0.405264
Added: trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2863
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2863?rev=18412&view=auto
==============================================================================
--- trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2863
(added)
+++ trunk/test_suite/shared_data/model_free/bug_20479_gui_final_pipe/R2863
Mon Feb 4 20:17:31 2013
@@ -1,0 +1,3 @@
+# mol_name res_num res_name spin_num spin_name value error
+PrtG 9 LYS 29 N 26.164312 1.608742
+PrtG 10 LEU 24 N 23.906287 1.177312
r18412 - in /trunk/test_suite: gui_tests/ shared_data/model_free/bug_20479_gui_final_pipe/