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Posted by edward on October 08, 2014 - 08:39:
Author: bugman
Date: Wed Oct  8 08:39:48 2014
New Revision: 26202

URL: http://svn.gna.org/viewcvs/relax?rev=26202&view=rev
Log:
Merged revisions 26189-26196 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r26189 | tlinnet | 2014-10-07 15:45:35 +0200 (Tue, 07 Oct 2014) | 3 lines
  
  Added some test pymol script, to create dx maps and chi2 surface plot.
  
  These will go to the wiki: http://wiki.nmr-relax.com/Chi2_surface_plot
........
  r26190 | bugman | 2014-10-07 16:11:38 +0200 (Tue, 07 Oct 2014) | 10 lines
  
  Big improvement for running the relax unit tests via the relax command line 
options.
  
  The unit test module path is now accepted as a command line option.  This 
brings more capabilities
  of Gary Thompson's test_suite/unit_tests/unit_test_runner.py script into 
the relax command line.
  The _pipe_control/test_value unit test module path can be specified as, for 
example, one of
  'test_suite.unit_tests._pipe_control.test_value', 
'test_suite/unit_tests/_pipe_control/test_value',
  '_pipe_control.test_value', '_pipe_control/test_value'.  This allows 
individual modules of tests to
  be run, rather than having to execute all unit tests, which is very useful 
for debugging.
........
  r26191 | bugman | 2014-10-07 16:21:30 +0200 (Tue, 07 Oct 2014) | 8 lines
  
  Modified the printouts for the unit tests when running with the --time 
command line option.
  
  The test name is now being processed.  The leading 'test_suite.unit_tests.' 
text is now stripped
  out.  And the remaining text is split into the module name and the test 
name.  This is to allow the
  unit test module name to be more easily identifiable, so it can then be 
used as a command line
  option to allow only a subset of tests to be performed.
........
  r26192 | bugman | 2014-10-07 16:31:49 +0200 (Tue, 07 Oct 2014) | 6 lines
  
  Modified the help strings for the test suite options shown when 'relax -h' 
is run.
  
  The ability to specify individual tests (or modules of tests for the unit 
tests) is now documented.
  The '--time' option help string has also been edited.
........
  r26193 | bugman | 2014-10-07 16:44:32 +0200 (Tue, 07 Oct 2014) | 7 lines
  
  Fix for the Bmrb.test_bug_22704_corrupted_state_file GUI test.
  
  This was failing because the setUp() method in the inherited Bmrb system 
test module was being
  overwritten by the default Unittest.setUp() method.  Therefore the system 
test setUp() method has
  been copied into the GUI test class.
........
  r26194 | bugman | 2014-10-07 17:45:07 +0200 (Tue, 07 Oct 2014) | 9 lines
  
  Fix for the Test_value.test_value_set_r1_rit test of the 
_pipe_control.test_value unit test module.
  
  This is a general fix for all unit test modules which use the
  test_suite.unit_tests.value_testing_base.Value_testing_base base class.  
After the molecules,
  residues and spins are manually created, the 
pipe_control.mol_res_spin.metadata_update() function is
  called to make sure that all of the private and volatile metadata have been 
correctly created, so
  that the other pipe_control.mol_res_spin module functions can operate 
correctly.
........
  r26195 | bugman | 2014-10-07 17:47:01 +0200 (Tue, 07 Oct 2014) | 6 lines
  
  Removal of repetitive code in the relaxation dispersion model_loop() API 
method.
  
  The spin loop does not need to be called twice, instead the if statements 
have been modified to
  better direct the code execution.
........
  r26196 | tlinnet | 2014-10-07 18:43:52 +0200 (Tue, 07 Oct 2014) | 26 lines
  
  Added script to simulate dispersion profiles at different settings.
  
  This shows that something is wrong.
  
  The back-calculated values in the graphs are not equal to the interpolated 
values.
  There must be something wrong somewhere.
  
  This list shows the chi2 values, and judging from the dispersion graphs, 
this simply cannot be True.
  
  10.405    2.414    6722.833
  9.900     1.000    6722.159
  9.900     2.333    6722.159
  9.900     3.667    6722.159
  9.900     5.000    6722.159
  10.300    1.000    6722.156
  10.300    2.333    6722.156
  10.300    3.667    6722.156
  10.300    5.000    6722.156
  10.700    1.000    6726.040
  10.700    2.333    6726.040
  10.700    3.667    6726.040
  10.700    5.000    6726.040
  11.100    1.000    6732.256
  11.100    2.333    6732.256
  11.100    3.667    6732.256
  11.100    5.000    6732.256
........

Added:
    
branches/frame_order_cleanup/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/surface_chi2_clustered_fitting/
      - copied from r26196, 
trunk/test_suite/shared_data/dispersion/KTeilum_FMPoulsen_MAkke_2006/surface_chi2_clustered_fitting/
Modified:
    branches/frame_order_cleanup/   (props changed)
    branches/frame_order_cleanup/relax.py
    branches/frame_order_cleanup/specific_analyses/relax_disp/api.py
    branches/frame_order_cleanup/test_suite/gui_tests/bmrb.py
    branches/frame_order_cleanup/test_suite/relax_test_runner.py
    branches/frame_order_cleanup/test_suite/test_suite_runner.py
    branches/frame_order_cleanup/test_suite/unit_tests/unit_test_runner.py
    branches/frame_order_cleanup/test_suite/unit_tests/value_testing_base.py

Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Wed Oct  8 08:39:48 2014
@@ -1 +1 @@
-/trunk:1-26139,26142-26176,26188
+/trunk:1-26139,26142-26176,26188-26196

Modified: branches/frame_order_cleanup/relax.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/relax.py?rev=26202&r1=26201&r2=26202&view=diff
==============================================================================
--- branches/frame_order_cleanup/relax.py       (original)
+++ branches/frame_order_cleanup/relax.py       Wed Oct  8 08:39:48 2014
@@ -312,11 +312,11 @@
         # Recognised command line options for the test suite.
         group = OptionGroup(parser, 'Test suite options')
         group.add_option('-x', '--test-suite', action='store_true', 
dest='test_suite', default=0, help='execute the full relax test suite')
-        group.add_option('-s', '--system-tests', action='store_true', 
dest='system_tests', default=0, help='execute the system/functional tests')
-        group.add_option('-u', '--unit-tests', action='store_true', 
dest='unit_tests', default=0, help='execute the unit tests')
-        group.add_option('--gui-tests', action='store_true', 
dest='gui_tests', default=0, help='execute the GUI tests')
-        group.add_option('--verification-tests', action='store_true', 
dest='verification_tests', default=0, help='execute the software verification 
tests')
-        group.add_option('--time', action='store_true', dest='tt', 
default=0, help='enable the timing of individual tests in the test suite')
+        group.add_option('-s', '--system-tests', action='store_true', 
dest='system_tests', default=0, help='execute the system/functional tests.  
Test names, revealed with the --time option, can be supplied to perform a 
subset of all tests.')
+        group.add_option('-u', '--unit-tests', action='store_true', 
dest='unit_tests', default=0, help='execute the unit tests.  Module names, 
revealed with the --time option, can be supplied to perform a subset of all 
tests.')
+        group.add_option('--gui-tests', action='store_true', 
dest='gui_tests', default=0, help='execute the GUI tests.  Test names, 
revealed with the --time option, can be supplied to perform a subset of all 
tests.')
+        group.add_option('--verification-tests', action='store_true', 
dest='verification_tests', default=0, help='execute the software verification 
tests.  Test names, revealed with the --time option, can be supplied to 
perform a subset of all tests.')
+        group.add_option('--time', action='store_true', dest='tt', 
default=0, help='print out the timings of individual tests in the test suite')
         group.add_option('--no-skip', action='store_true', dest='no_skip', 
default=0, help='a debugging option for relax developers to turn on all 
blacklisted tests, even those that will fail')
         parser.add_option_group(group)
 

Modified: branches/frame_order_cleanup/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/specific_analyses/relax_disp/api.py?rev=26202&r1=26201&r2=26202&view=diff
==============================================================================
--- branches/frame_order_cleanup/specific_analyses/relax_disp/api.py    
(original)
+++ branches/frame_order_cleanup/specific_analyses/relax_disp/api.py    Wed 
Oct  8 08:39:48 2014
@@ -846,24 +846,7 @@
         """
 
         # Loop over individual spins for the R2eff model.
-        if hasattr(cdp, 'model_type'):
-            if cdp.model_type == MODEL_R2EFF:
-                # The spin loop.
-                for spin, spin_id in spin_loop(return_id=True):
-                    # Skip deselected spins
-                    if not spin.select:
-                        continue
-
-                    # Yield the spin ID as a list.
-                    yield [spin_id]
-
-             # The cluster loop.
-            else:
-                for spin_ids in loop_cluster(skip_desel=False):
-                    yield spin_ids
-
-        # If no model is present, then set the values.
-        else:
+        if not hasattr(cdp, 'model_type') or cdp.model_type == MODEL_R2EFF:
             # The spin loop.
             for spin, spin_id in spin_loop(return_id=True):
                 # Skip deselected spins
@@ -872,6 +855,11 @@
 
                 # Yield the spin ID as a list.
                 yield [spin_id]
+
+         # The cluster loop.
+        else:
+            for spin_ids in loop_cluster(skip_desel=False):
+                yield spin_ids
 
 
     def model_statistics(self, model_info=None, spin_id=None, 
global_stats=None):

Modified: branches/frame_order_cleanup/test_suite/gui_tests/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/gui_tests/bmrb.py?rev=26202&r1=26201&r2=26202&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/gui_tests/bmrb.py   (original)
+++ branches/frame_order_cleanup/test_suite/gui_tests/bmrb.py   Wed Oct  8 
08:39:48 2014
@@ -22,7 +22,11 @@
 # Module docstring.
 """GUI tests for the BMRB related activities."""
 
+# Python module imports.
+from tempfile import mkdtemp, mktemp
+
 # relax module imports.
+from data_store import Relax_data_store; ds = Relax_data_store()
 from test_suite.gui_tests.base_classes import GuiTestCase
 from test_suite import system_tests
 
@@ -35,3 +39,13 @@
 
         # Force execution of the GuiTestCase __init__ method.
         GuiTestCase.__init__(self, methodName)
+
+
+    def setUp(self):
+        """Common set up for these GUI tests."""
+
+        # Create a temporary file name.
+        ds.tmpfile = mktemp()
+
+        # Create a temporary directory for dumping files.
+        self.tmpdir = mkdtemp()

Modified: branches/frame_order_cleanup/test_suite/relax_test_runner.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/relax_test_runner.py?rev=26202&r1=26201&r2=26202&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/relax_test_runner.py        
(original)
+++ branches/frame_order_cleanup/test_suite/relax_test_runner.py        Wed 
Oct  8 08:39:48 2014
@@ -21,6 +21,7 @@
 
 # Python module imports.
 import dep_check
+from re import split
 import sys
 from time import time
 from unittest import TextTestRunner
@@ -166,10 +167,21 @@
         # Subtract the end time from the start time.
         self.time -= time()
 
-        # Change the test name.
+        # Change the test name for all but unit tests.
         if self.category != 'unit':
             test_name = test_name.split('.')
             test_name = "%s.%s" % (test_name[-2], test_name[-1])
+
+        # Modify the unit test name printout.
+        else:
+            # Strip out the leading 'test_suite.unit_tests.' text.
+            test_name = test_name.replace('test_suite.unit_tests.', '')
+
+            # Split out the module name from the test name.
+            module_name, test_name = split('.Test_', test_name)
+
+            # Rebuild the test name.
+            test_name = "module %s, test Test_%s" % (module_name, test_name)
 
         # The printout.
         self.stream.write('  %7.2f s for %s\n' % (-self.time, test_name))

Modified: branches/frame_order_cleanup/test_suite/test_suite_runner.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/test_suite_runner.py?rev=26202&r1=26201&r2=26202&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/test_suite_runner.py        
(original)
+++ branches/frame_order_cleanup/test_suite/test_suite_runner.py        Wed 
Oct  8 08:39:48 2014
@@ -231,7 +231,7 @@
             # Run the tests.
             unit_runner = 
Unit_test_runner(root_path=status.install_path+os.sep+'test_suite'+os.sep+'unit_tests')
             self.runner.category = 'unit'
-            self.unit_result = unit_runner.run(runner=self.runner)
+            self.unit_result = unit_runner.run(self.tests, 
runner=self.runner)
 
             # Print out a summary of the test suite.
             if summary:

Modified: 
branches/frame_order_cleanup/test_suite/unit_tests/unit_test_runner.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/unit_tests/unit_test_runner.py?rev=26202&r1=26201&r2=26202&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/unit_tests/unit_test_runner.py    
  (original)
+++ branches/frame_order_cleanup/test_suite/unit_tests/unit_test_runner.py    
  Wed Oct  8 08:39:48 2014
@@ -5,7 +5,7 @@
 #                         (see https://gna.org/users/varioustoxins           
  #
 #                                      for contact details)                  
  #
 #                                                                            
  #
-# Copyright (C) 2007-2013 Edward d'Auvergne                                  
  #
+# Copyright (C) 2007-2014 Edward d'Auvergne                                  
  #
 #                                                                            
  #
 #                                                                            
  #
 # This file is part of the program relax.                                    
  #
@@ -577,9 +577,11 @@
         return result
 
 
-    def run(self, runner=None):
+    def run(self, tests=None, runner=None):
         """Run a unit test or set of unit tests.
 
+        @keyword tests:     The list of system tests to perform.
+        @type tests:        list of str
         @keyword runner:    A unit test runner such as TextTestRunner.  None 
indicates use of the default unit test runner.  For an example of how to 
write a test runner see the python documentation for TextTestRunner in the 
python source.
         @type runner:       Unit test runner instance (TextTestRunner, 
BaseGUITestRunner subclass, etc.)
         @return:            A string indicating success or failure of the 
unit tests run.
@@ -598,7 +600,27 @@
             print('----------------')
             print('')
 
-        module_paths = self.paths_from_test_module(self.test_module)
+        # The test module path for individual tests.
+        if tests:
+            # Initialise the list of paths.
+            module_paths = []
+
+            # Loop over each test.
+            for test in tests:
+                # Strip out the leading 'test_suite.unit_tests.' if present.
+                test = test.replace('test_suite.unit_tests.', '')
+                test = test.replace('test_suite%sunit_tests%s' % (os.sep, 
os.sep), '')
+
+                # Replace the Python '.' separator with the system's path 
separator.
+                test = test.replace('.', os.sep)
+
+                # Append to the module path list.
+                module_paths += 
self.paths_from_test_module(self.test_module+os.sep+test)
+
+        # The test module path for all tests.
+        else:
+            module_paths = self.paths_from_test_module(self.test_module)
+
         if self.verbose:
             print("%-22s %s" % ('Test module:', self.test_module))
             print("%-22s %s" % ('Root path', self.root_path))

Modified: 
branches/frame_order_cleanup/test_suite/unit_tests/value_testing_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/unit_tests/value_testing_base.py?rev=26202&r1=26201&r2=26202&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/unit_tests/value_testing_base.py  
  (original)
+++ branches/frame_order_cleanup/test_suite/unit_tests/value_testing_base.py  
  Wed Oct  8 08:39:48 2014
@@ -25,7 +25,7 @@
 
 # relax module imports.
 from data_store import Relax_data_store; ds = Relax_data_store()
-from pipe_control import diffusion_tensor, pipes
+from pipe_control import diffusion_tensor, pipes, mol_res_spin
 from lib.errors import RelaxError, RelaxParamSetError, 
RelaxUnknownParamCombError
 from test_suite.unit_tests.base_classes import UnitTestCase
 
@@ -98,6 +98,9 @@
         pipe.mol[0].res[1].spin[0].num = 112
         pipe.mol[0].res[1].spin[0].name = 'NH'
 
+        # Update the metadata so that the other pipe_control.mol_res_spin 
module functions can operate correctly.
+        mol_res_spin.metadata_update(pipe=pipe_name)
+
 
 
 




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