r7686 - in /1.3/test_suite/system_tests: __init__.py sparky.py -- October 13, 2008 - 17:32

Author: semor
Date: Mon Oct 13 17:32:25 2008
New Revision: 7686

URL: http://svn.gna.org/viewcvs/relax?rev=7686&view=rev
Log:
Added a system test for the reading of a Sparky peak list.

This will help find the problems specific to NMRView peak list support...


Added:
    1.3/test_suite/system_tests/sparky.py
Modified:
    1.3/test_suite/system_tests/__init__.py

Modified: 1.3/test_suite/system_tests/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/__init__.py?rev=7686&r1=7685&r2=7686&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/__init__.py (original)
+++ 1.3/test_suite/system_tests/__init__.py Mon Oct 13 17:32:25 2008
@@ -49,6 +49,7 @@
 from relax_fit import Relax_fit
 from results import Results
 from sequence import Sequence
+from sparky import Sparky
 from state import State
 from structure import Structure
 from unit_vectors import Unit_vectors
@@ -73,6 +74,7 @@
            'results',
            'sequence',
            'state',
+           'sparky',
            'structure',
            'unit_vectors']
 
@@ -113,6 +115,7 @@
         suite_array.append(TestLoader().loadTestsFromTestCase(Relax_fit))
         suite_array.append(TestLoader().loadTestsFromTestCase(Results))
         suite_array.append(TestLoader().loadTestsFromTestCase(Sequence))
+        suite_array.append(TestLoader().loadTestsFromTestCase(Sparky))
         suite_array.append(TestLoader().loadTestsFromTestCase(State))
         suite_array.append(TestLoader().loadTestsFromTestCase(Structure))
         suite_array.append(TestLoader().loadTestsFromTestCase(Unit_vectors))

Added: 1.3/test_suite/system_tests/sparky.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/sparky.py?rev=7686&view=auto
==============================================================================
--- 1.3/test_suite/system_tests/sparky.py (added)
+++ 1.3/test_suite/system_tests/sparky.py Mon Oct 13 17:32:25 2008
@@ -1,0 +1,68 @@
+###############################################################################
+#                                                                            
 #
+# Copyright (C) 2008 Edward d'Auvergne                                       
 #
+#                                                                            
 #
+# This file is part of the program relax.                                    
 #
+#                                                                            
 #
+# relax is free software; you can redistribute it and/or modify              
 #
+# it under the terms of the GNU General Public License as published by       
 #
+# the Free Software Foundation; either version 2 of the License, or          
 #
+# (at your option) any later version.                                        
 #
+#                                                                            
 #
+# relax is distributed in the hope that it will be useful,                   
 #
+# but WITHOUT ANY WARRANTY; without even the implied warranty of             
 #
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the              
 #
+# GNU General Public License for more details.                               
 #
+#                                                                            
 #
+# You should have received a copy of the GNU General Public License          
 #
+# along with relax; if not, write to the Free Software                       
 #
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA  
 #
+#                                                                            
 #
+###############################################################################
+
+# Python module imports.
+import sys
+from unittest import TestCase
+
+# relax module imports.
+from data import Relax_data_store; ds = Relax_data_store()
+from generic_fns import pipes
+
+
+class Sparky(TestCase):
+    """TestCase class for the functional tests for the support of Sparky in 
relax."""
+
+    def setUp(self):
+        """Set up for all the functional tests."""
+
+        # Create a data pipe.
+        self.relax.interpreter._Pipe.create('mf', 'mf')
+
+
+    def tearDown(self):
+        """Reset the relax data storage object."""
+
+        ds.__reset__()
+
+
+    def test_read_peak_list(self):
+        """Test the reading of an Sparky peak list."""
+
+        # Get the current data pipe.
+        cdp = pipes.get_pipe()
+
+        # Create the sequence data, and name the spins.
+        self.relax.interpreter._Residue.create(3)
+        self.relax.interpreter._Residue.create(4)
+        self.relax.interpreter._Residue.create(5)
+        self.relax.interpreter._Residue.create(6)
+        self.relax.interpreter._Spin.name(name='N')
+
+        # Read the peak list.
+        self.relax.interpreter._Relax_fit.read(file="ref_ave.list", 
dir=sys.path[-1] + "/test_suite/shared_data/peak_lists", relax_time=0, 
format='sparky')
+
+        # Test the data.
+        self.assertEqual(cdp.mol[0].res[0].spin[0].intensities[0], 6262)
+        self.assertEqual(cdp.mol[0].res[1].spin[0].intensities[0], 148614)
+        self.assertEqual(cdp.mol[0].res[2].spin[0].intensities[0], 166842)
+        self.assertEqual(cdp.mol[0].res[3].spin[0].intensities[0], 128690)